Drug repurposing for SARS-CoV infection.

Here, we will examine some of the most relevant drugs identified as

antiviral and their molecular interactions recorded in ChEMBL DB.

The 4k repurposed substances show a complex interaction map, as depicted in the down-left graph. It’s difficult to see anything, but we can apply filters to select best scored drugs and molecular targets with most potent recorded interactions to make them visible.  

 

just click to expand charts. 

Al interactions of repositioned drugs

Most relevant interactions of best scored drugs and targets.

We can also visualize these interactions employing a tree map. 

Either categorized by mechanism of action…

 

or by drug name…

But, for more specific views, it may be better to go through specific mechanisms, just clicking on the tabs below. 

Drugs acting through...

Repurposed drugs acting through Ser/Thre kinases. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotNamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
AMG-548Mapk14Mitogen-activated protein kinase 145.9066688.004327.290435mammalsactualclID_1182
APITOLISIBMTORSerine/threonine-protein kinase mTOR97.181557.947535mammalsactualclID_1863
APITOLISIBPIK3CAPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform98.4142278.532107mammalsactualclID_1863
APITOLISIBPIK3CBPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform97.6743337.852496mammalsactualclID_1863
APITOLISIBPIK3CDPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform97.9061798.270104mammalsactualclID_1863
AZD-2014MTORSerine/threonine-protein kinase mTOR5.605877.181557.070031mammalsactualclID_100
AZD-8055MTORSerine/threonine-protein kinase mTOR97.181557.412212mammalsactualclID_100
BIMIRALISIBMTORSerine/threonine-protein kinase mTOR6.5325987.181557.216821mammalsactualclID_414
BIMIRALISIBPik3r1Phosphatidylinositol 3-kinase regulatory subunit alpha6.5325988.1654867.769551mammalsactualclID_414
BIMIRALISIBPIK3CAPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform6.5325988.4142277.961124mammalsactualclID_414
BIMIRALISIBPIK3CBPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform6.5325987.6743337.069203mammalsactualclID_414
BUPARLISIBPik3r1Phosphatidylinositol 3-kinase regulatory subunit alpha6.6148358.1654867.285605mammalsactualclID_414
BUPARLISIBPIK3CAPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform6.6148358.4142277.52825mammalsactualclID_414
CAMPTOTHECINMTORSerine/threonine-protein kinase mTOR5.6541427.181557.157757mammalsactualclID_1835
CEP-32496BCRBreakpoint cluster region protein4.6750348.4064187.387216mammalsactualclID_10342
CEP-32496RAF1RAF proto-oncogene serine/threonine-protein kinase4.6750347.6680577.408935mammalsactualclID_10342
CGP-53353AKT1RAC-alpha serine/threonine-protein kinase5.7927157.6674069mammalsactualclID_670
CGP-53353PRKCIProtein kinase C iota type5.7927158.0037877.502399mammalsactualclID_670
DACTOLISIBMTORSerine/threonine-protein kinase mTOR6.0461527.181557.604691mammalsactualclID_918
DACTOLISIBPik3r1Phosphatidylinositol 3-kinase regulatory subunit alpha6.0461528.1654867.126506mammalsactualclID_918
DACTOLISIBPIK3CAPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform6.0461528.4142277.694048mammalsactualclID_918
DACTOLISIBPIK3CBPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform6.0461527.6743337.20915mammalsactualclID_918
DACTOLISIBPIK3CDPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform6.0461527.9061797.130912mammalsactualclID_918
DACTOLISIBRPTORRegulatory-associated protein of mTOR6.0461529.1557817.356547mammalsactualclID_918
DASATINIBBCRBreakpoint cluster region protein5.0472988.4064188.052028mammalsactualclID_5901
DASATINIBMapk12Mitogen-activated protein kinase 125.0472988.1246947mammalsactualclID_5901
DASATINIBMAPK13Mitogen-activated protein kinase 135.0472988.0873157mammalsactualclID_5901
FIMEPINOSTATPik3r1Phosphatidylinositol 3-kinase regulatory subunit alpha4.7710958.1654867.505594mammalsactualclID_11717
FIMEPINOSTATPIK3CAPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform4.7710958.4142277.721246mammalsactualclID_11717
FIMEPINOSTATPIK3CBPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform4.7710957.6743337.267606mammalsactualclID_11717
FIMEPINOSTATPIK3CDPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform4.7710957.9061797.408935mammalsactualclID_11717
GSK-2636771PIK3CBPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform5.8702587.6743339.05061mammalsactualclID_1261
GW632580XAKT1RAC-alpha serine/threonine-protein kinase4.8612477.6674069mammalsactualclID_780
GW632580XPRKCIProtein kinase C iota type4.8612478.0037877.754825mammalsactualclID_780
GW632580XMAPK13Mitogen-activated protein kinase 134.8612478.0873157.502399mammalsactualclID_780
GW632580XMTORSerine/threonine-protein kinase mTOR4.8612477.181559mammalsactualclID_780
HERBIMYCINAKT1RAC-alpha serine/threonine-protein kinase5.1225797.6674069mammalspredictedclID_2407
HERBIMYCINMAPK11Mitogen-activated protein kinase 115.1225798.1687937.845098mammalspredictedclID_2407
HERBIMYCINMapk12Mitogen-activated protein kinase 125.1225798.1246947.997818mammalspredictedclID_2407
HERBIMYCINMapk14Mitogen-activated protein kinase 145.1225798.004327.639377mammalspredictedclID_2407
HEXACHLOROPHENEMapk14Mitogen-activated protein kinase 146.0995028.004327.057496mammalsactualclID_842
IMATINIB MESYLATEBCRBreakpoint cluster region protein4.925848.4064187.045757mammalsactualclID_2757
KENPAULLONEAKT1RAC-alpha serine/threonine-protein kinase4.7714687.6674068.092918mammalsactualclID_253
KENPAULLONEPRKCIProtein kinase C iota type4.7714688.0037879mammalsactualclID_253
KENPAULLONEMTORSerine/threonine-protein kinase mTOR4.7714687.181557.534376mammalsactualclID_253
LINSITINIBMAPK11Mitogen-activated protein kinase 115.1517938.1687938mammalsactualclID_1409
MASITINIBBCRBreakpoint cluster region protein5.3556388.4064187.107905mammalsactualclID_3395
MIDOSTAURINMapk12Mitogen-activated protein kinase 125.1984968.1246947.412788mammalsactualclID_3146
MIDOSTAURINMTORSerine/threonine-protein kinase mTOR5.1984967.181557.491846mammalsactualclID_3146
MITOXANTRONEAKT1RAC-alpha serine/threonine-protein kinase4.8743477.6674069mammalsactualclID_7603
OSI-930RAF1RAF proto-oncogene serine/threonine-protein kinase97.6680577.387216mammalsactualclID_99
PF-03715455MAPK11Mitogen-activated protein kinase 115.105518.1687937.638272mammalspredictedclID_5526
PF-03715455Mapk14Mitogen-activated protein kinase 145.105518.004327.50103mammalspredictedclID_5526
PH-797804MAPK11Mitogen-activated protein kinase 115.4139468.1687937.19467mammalsactualclID_2996
PH-797804Mapk14Mitogen-activated protein kinase 145.4139468.004328.249973mammalsactualclID_2996
PICTILISIBAKT1RAC-alpha serine/threonine-protein kinase5.5647517.6674067.440627mammalsactualclID_2221
PICTILISIBPik3r1Phosphatidylinositol 3-kinase regulatory subunit alpha5.5647518.1654867.587144mammalsactualclID_2221
PICTILISIBPIK3CAPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform5.5647518.4142278.319976mammalsactualclID_2221
PICTILISIBPIK3CBPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform5.5647517.6743337.391049mammalsactualclID_2221
PICTILISIBPIK3CDPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform5.5647517.9061798.061408mammalsactualclID_2221
PONATINIBBCRBreakpoint cluster region protein4.6272568.4064189.096265mammalsactualclID_4006
QUERCETINMAPK11Mitogen-activated protein kinase 114.8938398.1687939mammalsactualclID_459
QUERCETINMapk12Mitogen-activated protein kinase 124.8938398.1246949mammalsactualclID_459
QUERCETINMAPK13Mitogen-activated protein kinase 134.8938398.0873159mammalsactualclID_459
QUERCETINMapk14Mitogen-activated protein kinase 144.8938398.004329mammalsactualclID_459
RAF-265BRAFSerine/threonine-protein kinase B-raf6.1382797.591317.030823mammalsactualclID_781
SIROLIMUSRAF1RAF proto-oncogene serine/threonine-protein kinase5.5128847.6680577.21598mammalsactualclID_265
TALMAPIMODMAPK11Mitogen-activated protein kinase 116.0762728.1687937.416341mammalsactualclID_874
TALMAPIMODMapk14Mitogen-activated protein kinase 146.0762728.004327.633576mammalsactualclID_874
TYRPHOSTIN AG-1478Mapk12Mitogen-activated protein kinase 125.4524548.1246949mammalsactualclID_681
TYRPHOSTIN AG-1478MAPK13Mitogen-activated protein kinase 135.4524548.0873159mammalsactualclID_681
VISTUSERTIBMTORSerine/threonine-protein kinase mTOR97.181557.822205mammalsactualclID_3010
WORTMANNINMapk14Mitogen-activated protein kinase 144.7583948.004327.394185mammalsactualclID_1672
WORTMANNINMTORSerine/threonine-protein kinase mTOR4.7583947.181557.144717mammalsactualclID_1672
WORTMANNINPik3r1Phosphatidylinositol 3-kinase regulatory subunit alpha4.7583948.1654867.546149mammalsactualclID_1672
WORTMANNINPIK3CAPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform4.7583948.4142277.609936mammalsactualclID_1672
WORTMANNINPIK3CBPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform4.7583947.6743337.949242mammalsactualclID_1672
WORTMANNINPIK3CDPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform4.7583947.9061798.187273mammalsactualclID_1672
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with transporters. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
(R,S)-INDATRALINESlc6a2Sodium-dependent noradrenaline transporter4.8046728.2919787.740743mammalspredictedclID_1783
(R,S)-INDATRALINESlc6a3Sodium-dependent dopamine transporter4.8046729.0540497.603454mammalspredictedclID_1783
(R,S)-INDATRALINESLC6A4Sodium-dependent serotonin transporter4.8046729.3989498.309894mammalspredictedclID_1783
(S)-NORDULOXETINESLC6A4Sodium-dependent serotonin transporter5.4432149.3989497.668244mammalspredictedclID_2375
3-OXOURSAN (28-13)OLIDESLCO1B1Solute carrier organic anion transporter family member 1B14.5112627.59739mammalspredictedclID_2585
4-AMINO-3- (5-CHLOROTHIEN-2-YL)BUTANOIC ACIDSLCO1B1Solute carrier organic anion transporter family member 1B14.5065397.59739mammalspredictedclID_5467
4-AMINO-3- (5-CHLOROTHIEN-2-YL)BUTANOIC ACIDSLCO1B3Solute carrier organic anion transporter family member 1B34.5065397.4840177.521574mammalspredictedclID_5467
ACEXAMIC ACIDSLCO1B1Solute carrier organic anion transporter family member 1B15.0910127.59739mammalsactualclID_5706
ACEXAMIC ACIDSLCO1B3Solute carrier organic anion transporter family member 1B35.0910127.4840179mammalsactualclID_5706
ACRIFLAVINESLCO1B1Solute carrier organic anion transporter family member 1B15.4764277.59739mammalsactualclID_2669
ACRISORCINSLCO1B3Solute carrier organic anion transporter family member 1B35.2065357.4840179mammalsactualclID_4535
AGMATINE SULFATESLCO1B1Solute carrier organic anion transporter family member 1B14.5511437.59739mammalsactualclID_10130
AGMATINE SULFATESLCO1B3Solute carrier organic anion transporter family member 1B34.5511437.4840179mammalsactualclID_10130
ALEXIDINE HYDROCHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B37.6637917.4840179mammalspredictedclID_181
ASTEMIZOLESLCO1B1Solute carrier organic anion transporter family member 1B15.9586077.59739mammalsactualclID_1081
AZATHIOPRINESLCO1B1Solute carrier organic anion transporter family member 1B15.0689377.59739mammalsactualclID_5945
AZATHIOPRINESLCO1B3Solute carrier organic anion transporter family member 1B35.0689377.4840179mammalsactualclID_5945
BENZALKONIUM CHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B34.835467.4840179mammalsactualclID_2984
BENZOCAINESLCO1B1Solute carrier organic anion transporter family member 1B14.52987.59739mammalsactualclID_7652
BENZOCAINESLCO1B3Solute carrier organic anion transporter family member 1B34.52987.4840179mammalsactualclID_7652
BERBAMINE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B16.5746237.59739mammalspredictedclID_186
BERGAPTENABCB1ATP-dependent translocase ABCB14.8850278.7202497.30103widespreadactualclID_7721
BETAINE HYDROCHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B36.3442887.4840179mammalsactualclID_581
BETHANECHOL CHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B14.7313467.59739mammalsactualclID_9239
BETHANECHOL CHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B34.7313467.4840179mammalsactualclID_9239
BETULINSLCO1B1Solute carrier organic anion transporter family member 1B15.0464277.59739mammalsactualclID_195
BIFONAZOLESLCO1B1Solute carrier organic anion transporter family member 1B15.3836017.59739mammalsactualclID_3195
BIFONAZOLESLCO1B3Solute carrier organic anion transporter family member 1B35.3836017.4840179mammalsactualclID_3195
BUSULFANSLCO1B1Solute carrier organic anion transporter family member 1B14.9991317.59739mammalsactualclID_6797
CAFFEINESLCO1B1Solute carrier organic anion transporter family member 1B14.7035877.59739mammalsactualclID_6550
CAMPTOTHECINSLCO1B3Solute carrier organic anion transporter family member 1B35.6541427.4840179mammalsactualclID_1835
CAPTOPRILSLCO1B1Solute carrier organic anion transporter family member 1B15.5584657.59739mammalsactualclID_2251
CAPTOPRILSLCO1B3Solute carrier organic anion transporter family member 1B35.5584657.4840179mammalsactualclID_2251
CATECHIN PENTABENZOATESLCO1B1Solute carrier organic anion transporter family member 1B14.6532277.59739mammalspredictedclID_4206
CATECHIN PENTABENZOATESLCO1B3Solute carrier organic anion transporter family member 1B34.6532277.4840179mammalspredictedclID_4206
CEDROLSLCO1B1Solute carrier organic anion transporter family member 1B14.8280677.59739mammalsactualclID_491
CEDROLSLCO1B3Solute carrier organic anion transporter family member 1B34.8280677.4840179mammalsactualclID_491
CEFACLORSLCO1B3Solute carrier organic anion transporter family member 1B37.2840317.4840179mammalspredictedclID_3701
CEFADROXILSLCO1B3Solute carrier organic anion transporter family member 1B34.6708437.4840179mammalsactualclID_3701
CELASTROLSLCO1B1Solute carrier organic anion transporter family member 1B15.3767517.59739mammalsactualclID_2475
CELECOXIBSLCO1B1Solute carrier organic anion transporter family member 1B14.6658367.59739mammalsactualclID_7657
CELECOXIBSLCO1B3Solute carrier organic anion transporter family member 1B34.6658367.4840179mammalsactualclID_7657
CELLBIOSESLCO1B3Solute carrier organic anion transporter family member 1B34.6332847.4840179mammalspredictedclID_283
CEPHARANTHINESLCO1B3Solute carrier organic anion transporter family member 1B34.9305727.4840179mammalsactualclID_186
CETRIMONIUM BROMIDESLCO1B3Solute carrier organic anion transporter family member 1B35.0882037.4840179mammalsactualclID_5733
CETYLPYRIDINIUM CHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B38.3019027.4840179mammalsactualclID_5869
CHLOROQUINE PHOSPHATESLCO1B3Solute carrier organic anion transporter family member 1B35.7667817.4840177.08261mammalsactualclID_1740
CHLORPROMAZINESlc6a2Sodium-dependent noradrenaline transporter6.9080688.2919787.721246mammalspredictedclID_302
CHLORPROMAZINESLC6A4Sodium-dependent serotonin transporter6.9080689.3989497.301876mammalspredictedclID_302
CHLORPROMAZINESLCO1B1Solute carrier organic anion transporter family member 1B16.9080687.59737.290209mammalspredictedclID_302
CHLORPYRIFOSSLCO1B1Solute carrier organic anion transporter family member 1B14.6718427.59739mammalsactualclID_9389
CHLORPYRIFOSSLCO1B3Solute carrier organic anion transporter family member 1B34.6718427.4840179mammalsactualclID_9389
CILOSTAZOLSLCO1B1Solute carrier organic anion transporter family member 1B14.6396487.59739mammalsactualclID_7834
CLEBOPRIDE MALEATESLCO1B3Solute carrier organic anion transporter family member 1B34.7223467.4840179mammalsactualclID_10245
CLOMIPHENESLCO1B1Solute carrier organic anion transporter family member 1B15.3861567.59737.226578mammalsactualclID_2790
CLOMIPHENESLCO1B3Solute carrier organic anion transporter family member 1B35.3861567.4840179mammalsactualclID_2790
CLOMIPRAMINESlc6a2Sodium-dependent noradrenaline transporter4.5226278.2919787.006628mammalsactualclID_1362
CLOMIPRAMINESLC6A4Sodium-dependent serotonin transporter4.5226279.3989497.96122mammalsactualclID_1362
CLOTRIMAZOLESLCO1B3Solute carrier organic anion transporter family member 1B35.64897.4840179mammalsactualclID_1854
COLFORSINSLCO1B1Solute carrier organic anion transporter family member 1B14.9206247.59739mammalsactualclID_2585
CURCUMINSLCO1B3Solute carrier organic anion transporter family member 1B35.3197547.4840179mammalsactualclID_3628
CYCLOHEXIMIDESLCO1B1Solute carrier organic anion transporter family member 1B16.4215597.59739mammalsactualclID_525
CYCLOHEXIMIDESLCO1B3Solute carrier organic anion transporter family member 1B36.4215597.4840179mammalsactualclID_525
Copper complexSLCO1B3Solute carrier organic anion transporter family member 1B34.6651637.4840179mammalspredictedcopper complex
DAIDZEINSLCO1B3Solute carrier organic anion transporter family member 1B34.966637.4840179mammalsactualclID_7199
DEMECLOCYCLINE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B14.5540557.59739mammalsactualclID_1527
DEQUALINIUM CHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B15.2813087.59739mammalsactualclID_914
DEQUALINIUM CHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B35.2813087.4840179mammalsactualclID_914
DEXTROMETHORPHANSLC6A4Sodium-dependent serotonin transporter5.5274679.3989498.704334mammalsactualclID_2960
DIFLUOROBENZTROPINESlc6a3Sodium-dependent dopamine transporter4.8500319.0540497.186786mammalspredictedclID_601
DIHYDROTANSHINONE ISLCO1B1Solute carrier organic anion transporter family member 1B15.9208197.59739mammalsactualclID_1151
DIHYDROTANSHINONE ISLCO1B3Solute carrier organic anion transporter family member 1B35.9208197.4840179mammalsactualclID_1151
ESCITALOPRAMSLC6A4Sodium-dependent serotonin transporter4.641299.3989497.810003mammalsactualclID_6878
ETHAVERINE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B16.9739897.59739mammalsactualclID_284
ETHAVERINE HYDROCHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B36.9739897.4840179mammalsactualclID_284
FANCHININSLCO1B3Solute carrier organic anion transporter family member 1B35.5627267.4840179mammalsactualclID_186
FLOPROPIONESLCO1B3Solute carrier organic anion transporter family member 1B34.6272567.4840179mammalsactualclID_10249
FLOXURIDINESLCO1B1Solute carrier organic anion transporter family member 1B14.528657.59739mammalsactualclID_7153
FLOXURIDINESLCO1B3Solute carrier organic anion transporter family member 1B34.528657.4840179mammalsactualclID_7153
FLUNARIZINE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B15.3645357.59739mammalsactualclID_355
FLUNARIZINE HYDROCHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B35.3645357.4840179mammalsactualclID_355
FLUTAMIDESLCO1B1Solute carrier organic anion transporter family member 1B14.9103937.59739mammalsactualclID_7616
FLUTAMIDESLCO1B3Solute carrier organic anion transporter family member 1B34.9103937.4840179mammalsactualclID_7616
GIBBERELLIN A3SLCO1B1Solute carrier organic anion transporter family member 1B14.8318567.59739mammalsactualclID_2585
GLAFENINESLCO1B1Solute carrier organic anion transporter family member 1B14.7976867.59739mammalsactualclID_8575
GLAFENINESLCO1B3Solute carrier organic anion transporter family member 1B34.7976867.4840179mammalsactualclID_8575
HALOPERIDOLSLCO1B3Solute carrier organic anion transporter family member 1B34.7991897.4840179mammalsactualclID_1001
HYCANTHONESLCO1B3Solute carrier organic anion transporter family member 1B35.1793517.4840179mammalsactualclID_4801
HYDROCORTISONESLCO1B3Solute carrier organic anion transporter family member 1B35.0509587.4840179mammalsactualclID_1633
KALOPANAXSAPONIN BSLCO1B1Solute carrier organic anion transporter family member 1B14.8122067.59739mammalspredictedclID_2585
KALOPANAXSAPONIN BSLCO1B3Solute carrier organic anion transporter family member 1B34.8122067.4840179mammalspredictedclID_2585
LONIDAMINESLCO1B1Solute carrier organic anion transporter family member 1B14.527967.59739mammalsactualclID_438
LONIDAMINESLCO1B3Solute carrier organic anion transporter family member 1B34.527967.4840179mammalsactualclID_438
LOVASTATINSLCO1B3Solute carrier organic anion transporter family member 1B35.1144567.4840179mammalsactualclID_5420
LUFENURONSLCO1B1Solute carrier organic anion transporter family member 1B14.7540767.59739mammalsactualclID_10175
MEFLOQUINESLCO1B1Solute carrier organic anion transporter family member 1B15.3635127.59739mammalsactualclID_1601
MEFLOQUINESLCO1B3Solute carrier organic anion transporter family member 1B35.3635127.4840179mammalsactualclID_1601
MITOXANTRONEAbcc1Multidrug resistance-associated protein 14.8743479.0035898.789688mammalsactualclID_7603
MYCOPHENOLIC ACIDSLCO1B1Solute carrier organic anion transporter family member 1B14.5824747.59739mammalsactualclID_7897
MYCOPHENOLIC ACIDSLCO1B3Solute carrier organic anion transporter family member 1B34.5824747.4840179mammalsactualclID_7897
N-METHYL-D-ASPARTIC ACID (NMDA)SLCO1B1Solute carrier organic anion transporter family member 1B14.8104767.59739mammalsactualclID_7880
NAFCILLIN SODIUMSLCO1B3Solute carrier organic anion transporter family member 1B34.8282477.4840179mammalsactualclID_6931
NEOHESPERIDIN DIHYDROCHALCONESLCO1B3Solute carrier organic anion transporter family member 1B35.1382187.4840179mammalsactualclID_197
NIFEDIPINESLCO1B3Solute carrier organic anion transporter family member 1B34.6837677.4840179mammalsactualclID_6999
NILUTAMIDESLCO1B1Solute carrier organic anion transporter family member 1B14.9840167.59739mammalsactualclID_6978
NOCODAZOLESLCO1B1Solute carrier organic anion transporter family member 1B15.2907777.59739mammalsactualclID_3850
OLEANDRINSLCO1B1Solute carrier organic anion transporter family member 1B14.9961787.59739mammalsactualclID_364
OSAJINSLCO1B1Solute carrier organic anion transporter family member 1B15.4122897.59739mammalsactualclID_3006
OUABAINSLCO1B1Solute carrier organic anion transporter family member 1B17.0132287.59737.004343mammalsactualclID_364
OXICONAZOLE NITRATESLCO1B1Solute carrier organic anion transporter family member 1B15.4442957.59739mammalsactualclID_2831
OXICONAZOLE NITRATESLCO1B3Solute carrier organic anion transporter family member 1B35.4442957.4840179mammalsactualclID_2831
PAPAVERINE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B15.9322297.59739mammalsactualclID_1423
PAPAVERINE HYDROCHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B35.9322297.4840179mammalsactualclID_1423
PEFLOXACIN MESYLATESLCO1B1Solute carrier organic anion transporter family member 1B14.5787777.59739mammalsactualclID_8377
PENTAMIDINE ISETHIONATESLCO1B1Solute carrier organic anion transporter family member 1B14.9467767.59737.583896mammalsactualclID_1557
PENTAMIDINE ISETHIONATESLCO1B3Solute carrier organic anion transporter family member 1B34.9467767.4840179mammalsactualclID_1557
PENTOLINIUM TARTRATESLCO1B3Solute carrier organic anion transporter family member 1B34.6305757.4840179mammalsactualclID_10163
PIMOZIDESLCO1B1Solute carrier organic anion transporter family member 1B15.7658547.59739mammalsactualclID_4167
PIMOZIDESLCO1B3Solute carrier organic anion transporter family member 1B35.7658547.4840179mammalsactualclID_4167
PRAZOSIN HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B15.1405357.59737.374923mammalsactualclID_5167
PREDNISOLONE ACETATESLCO1B3Solute carrier organic anion transporter family member 1B35.175917.4840179mammalsactualclID_3226
PRISTIMERINSLCO1B1Solute carrier organic anion transporter family member 1B15.5086387.59739mammalsactualclID_2475
PRISTIMERINSLCO1B3Solute carrier organic anion transporter family member 1B35.5086387.4840177.257242mammalsactualclID_2475
PROPOXURSLCO1B1Solute carrier organic anion transporter family member 1B15.1970057.59739mammalsactualclID_4636
PROPOXURSLCO1B3Solute carrier organic anion transporter family member 1B35.1970057.4840179mammalsactualclID_4636
PYRAZINAMIDESLCO1B3Solute carrier organic anion transporter family member 1B34.9005497.4840179mammalsactualclID_7678
PYRILAMINE MALEATESLCO1B3Solute carrier organic anion transporter family member 1B34.9363057.4840179mammalsactualclID_10043
PYRIMETHAMINESLCO1B3Solute carrier organic anion transporter family member 1B35.133597.4840179mammalsactualclID_5236
QUERCETINAbcc1Multidrug resistance-associated protein 14.8938399.0035897.177826mammalsactualclID_459
QUERCETINSLCO1B3Solute carrier organic anion transporter family member 1B34.8938397.4840179mammalsactualclID_459
QUININE SULFATESLCO1B3Solute carrier organic anion transporter family member 1B36.4101597.4840177.885492mammalspredictedclID_530
R-NORDULOXETINESLC6A4Sodium-dependent serotonin transporter5.5312049.3989498.124206mammalspredictedclID_2375
RESERPINESlc18a2Synaptic vesicular amine transporter5.2538418.0787087.640538mammalsactualclID_4255
RESORCINOLSLCO1B3Solute carrier organic anion transporter family member 1B34.8482077.4840179mammalsactualclID_7732
RIBAVIRINSLCO1B1Solute carrier organic anion transporter family member 1B14.9510137.59739mammalsactualclID_7406
SACCHARINSLCO1B1Solute carrier organic anion transporter family member 1B14.7831477.59739mammalsactualclID_8142
SACCHARINSLCO1B3Solute carrier organic anion transporter family member 1B34.7831477.4840179mammalsactualclID_8142
SALICYL ALCOHOLSLCO1B3Solute carrier organic anion transporter family member 1B34.870327.4840179mammalsactualclID_7749
SANGUINARINE SULFATESLCO1B1Solute carrier organic anion transporter family member 1B16.6168457.59739mammalspredictedclID_993
SEMUSTINESLCO1B1Solute carrier organic anion transporter family member 1B14.7188857.59739mammalsactualclID_7630
SEMUSTINESLCO1B3Solute carrier organic anion transporter family member 1B34.7188857.4840179mammalsactualclID_7630
SEPROXETINESLC6A4Sodium-dependent serotonin transporter7.3420669.3989497.319136mammalspredictedclID_208
SISOMICIN SULFATESLCO1B1Solute carrier organic anion transporter family member 1B14.7964027.59737.307671mammalsactualclID_12135
SISOMICIN SULFATESLCO1B3Solute carrier organic anion transporter family member 1B34.7964027.4840179mammalsactualclID_12135
SPARTEINE SULFATESLCO1B1Solute carrier organic anion transporter family member 1B14.959327.59739mammalsactualclID_7292
SPARTEINE SULFATESLCO1B3Solute carrier organic anion transporter family member 1B34.959327.4840179mammalsactualclID_7292
STREPTOZOSINSLCO1B3Solute carrier organic anion transporter family member 1B34.9727177.4840179mammalsactualclID_7116
SULFANILAMIDESLCO1B1Solute carrier organic anion transporter family member 1B15.0668397.59739mammalsactualclID_5969
SULFANILAMIDESLCO1B3Solute carrier organic anion transporter family member 1B35.0668397.4840179mammalsactualclID_5969
TAMOXIFEN CITRATESLCO1B3Solute carrier organic anion transporter family member 1B34.8892797.4840179mammalsactualclID_10039
TENAPANOR HYDROCHLORIDESLC9A3Sodium/hydrogen exchanger 34.8324688.9938047.974985mammalspredictedclID_1886
THIMEROSALSLCO1B3Solute carrier organic anion transporter family member 1B35.7255077.4840179mammalsactualorganomercury
THIOGUANINESLCO1B1Solute carrier organic anion transporter family member 1B17.5141737.59739mammalsactualclID_194
THIOGUANINESLCO1B3Solute carrier organic anion transporter family member 1B37.5141737.4840179mammalsactualclID_194
TIAPRIDE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B14.6813917.59739mammalsactualclID_10133
TOMATINESLCO1B3Solute carrier organic anion transporter family member 1B36.6398297.4840179mammalspredictedclID_407
TOTAROLSLCO1B1Solute carrier organic anion transporter family member 1B14.7109377.59739mammalspredictedclID_3387
TOTAROLSLCO1B3Solute carrier organic anion transporter family member 1B34.7109377.4840179mammalspredictedclID_3387
TRIFLUOPERAZINE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B14.7055337.59739mammalsactualclID_4249
TRIFLUPROMAZINE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B14.8996687.59739mammalsactualclID_1458
TYROTHRICINSLCO1B1Solute carrier organic anion transporter family member 1B15.1562037.59739mammalspredictedclID_939
UBIDECARENONESLCO1B1Solute carrier organic anion transporter family member 1B14.6796067.59739mammalsactualclID_271
UBIDECARENONESLCO1B3Solute carrier organic anion transporter family member 1B34.6796067.4840179mammalsactualclID_271
URETHANESLCO1B1Solute carrier organic anion transporter family member 1B14.6449757.59739mammalsactualclID_9418
URETHANESLCO1B3Solute carrier organic anion transporter family member 1B34.6449757.4840179mammalsactualclID_9418
UVAOLSLCO1B1Solute carrier organic anion transporter family member 1B16.3736637.59739mammalspredictedclID_1633
UVAOLSLCO1B3Solute carrier organic anion transporter family member 1B36.3736637.4840179mammalspredictedclID_1633
VALDECOXIBSLCO1B1Solute carrier organic anion transporter family member 1B14.7995187.59739mammalsactualclID_7892
VANOXERINESlc6a3Sodium-dependent dopamine transporter6.5273349.0540497.144667mammalspredictedclID_462
XYLOMETAZOLINE HYDROCHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B34.6660377.4840177.077302mammalsactualclID_2569
YOHIMBINE HYDROCHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B35.1514347.4840179mammalsactualclID_4255
ZOSUQUIDAR TRIHYDROCHLORIDEABCB1ATP-dependent translocase ABCB15.6632668.7202497.266351widespreadactualclID_1807
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with G-protein coupled receptors. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
7-(3,5-BIS-TRIFLUOROMETHYL-BENZYL)-5-P-TOLYL-8,9,10,11-TETRAHYDRO-7H-1,7,11A-TRIAZA-CYCLOOCTA[B]NAPHTHALENE-6,12-DIONE (ATROPISOMERIC MIX)Tacr1Substance-P receptor5.165819.7095558.91215mammalspredictedclID_4408
7-(3,5-BIS-TRIFLUOROMETHYL-BENZYL)-9-METHYL-5-P-TOLYL-8,9,10,11-TETRAHYDRO-7H-1,7,11A-TRIAZA-CYCLOOCTA[B]NAPHTHALENE-6,12-DIONE (ATROPISOMERIC MIX)Tacr1Substance-P receptor5.2238119.7095557.267011mammalspredictedclID_4408
7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYRIDINE-6-CARBOXYLIC ACID (3,5-BIS-TRIFLUOROMETHYL-BENZYL)-METHYL-AMIDE (STRUCTURAL MIX)Tacr1Substance-P receptor5.349329.7095559.092575mammalspredictedclID_3441
ADL-5747Oprd1Delta-type opioid receptor5.2915257.7700127.797754mammalspredictedclID_3845
ANGIOTENSIN IIAGTR1Type-1 angiotensin II receptor4.506488.4259649.159495mammalspredictedclID_2005
ANGIOTENSIN IIAgtr2Type-2 angiotensin II receptor4.506488.580238.852604mammalspredictedclID_2005
ANGIOTENSIN IIAgtr1Type-1A angiotensin II receptor4.506488.4977229.004202mammalspredictedclID_2005
ANGIOTENSIN IIAgtr1bType-1B angiotensin II receptor4.506488.4807559.015087mammalspredictedclID_2005
ANTALARMINCRHR1Corticotropin-releasing factor receptor 15.157539.2288618.477266mammalsactualclID_5004
ASTEMIZOLEHTR2A5-hydroxytryptamine receptor 2A5.9586077.8185937.976363mammalsactualclID_1081
ASTEMIZOLEHtr2b5-hydroxytryptamine receptor 2B5.9586077.376318.023255mammalsactualclID_1081
ASTEMIZOLEADRA1AAlpha-1A adrenergic receptor5.9586077.7429587.812055mammalsactualclID_1081
AZILSARTANAGTR1Type-1 angiotensin II receptor4.7777818.4259647.376751mammalsactualclID_6141
AZILSARTANAgtr2Type-2 angiotensin II receptor4.7777818.580239mammalsactualclID_6141
AZILSARTANAgtr1Type-1A angiotensin II receptor4.7777818.4977229mammalsactualclID_6141
AZILSARTANAgtr1bType-1B angiotensin II receptor4.7777818.4807559mammalsactualclID_6141
AdoprazineHTR1A5-hydroxytryptamine receptor 1A5.4126547.9305817.722033mammalsactualclID_5683
AdoprazineHtr2b5-hydroxytryptamine receptor 2B5.4126547.376317.899974mammalsactualclID_5683
AdoprazineDRD2D(2) dopamine receptor5.4126548.2803798.400008mammalsactualclID_5683
AdoprazineDrd3D(3) dopamine receptor5.4126548.1662228.400008mammalsactualclID_5683
AdoprazineDRD4D(4) dopamine receptor5.4126547.4516268mammalsactualclID_5683
BENPERIDOLHTR2A5-hydroxytryptamine receptor 2A4.5915477.8185938.920819mammalsactualclID_1956
BENPERIDOLDRD2D(2) dopamine receptor4.5915478.28037910.568636mammalsactualclID_1956
BENPERIDOLDrd3D(3) dopamine receptor4.5915478.1662229.537602mammalsactualclID_1956
BENPERIDOLDRD4D(4) dopamine receptor4.5915477.45162610.180456mammalsactualclID_1956
BP-897HTR1A5-hydroxytryptamine receptor 1A4.8467327.9305817.00455mammalspredictedclID_1447
BP-897ADRA1AAlpha-1A adrenergic receptor4.8467327.7429587.871212mammalspredictedclID_1447
BP-897Adra1bAlpha-1B adrenergic receptor4.8467327.7385357.951545mammalspredictedclID_1447
BP-897Adra1dAlpha-1D adrenergic receptor4.8467327.7132667.951545mammalspredictedclID_1447
BP-897Drd3D(3) dopamine receptor4.8467328.1662227.478496mammalspredictedclID_1447
BREXPIPRAZOLEHTR2A5-hydroxytryptamine receptor 2A4.6121617.8185938.638272mammalsactualclID_10512
BREXPIPRAZOLEDRD2D(2) dopamine receptor4.6121618.2803799.69897mammalsactualclID_10512
CABERGOLINEHtr2b5-hydroxytryptamine receptor 2B4.9664567.376318.579976mammalsactualclID_2232
CAMPTOTHECINSstr1Somatostatin receptor type 15.6541428.1342888.655608mammalsactualclID_1835
CAMPTOTHECINSstr2Somatostatin receptor type 25.6541428.1853938.655608mammalsactualclID_1835
CAMPTOTHECINSstr4Somatostatin receptor type 45.6541428.1678098.655608mammalsactualclID_1835
CARBOXYLIC ACID METABOLITEAGTR1Type-1 angiotensin II receptor4.8763538.4259648.55898mammalsactualclID_774
CARBOXYLIC ACID METABOLITEAgtr2Type-2 angiotensin II receptor4.8763538.580238.453694mammalsactualclID_774
CARBOXYLIC ACID METABOLITEAgtr1Type-1A angiotensin II receptor4.8763538.4977228.107917mammalsactualclID_774
CARBOXYLIC ACID METABOLITEAgtr1bType-1B angiotensin II receptor4.8763538.4807558.100372mammalsactualclID_774
CARPERITIDENPR1Atrial natriuretic peptide receptor 14.7379338.8531929.5mammalspredictedclID_2005
CASOPITANTTacr1Substance-P receptor4.6705169.7095558.160005mammalspredictedclID_1663
CELECOXIBDRD2D(2) dopamine receptor4.6658368.2803797.690106mammalsactualclID_7657
CHLORHEXIDINENpy1rNeuropeptide Y receptor type 15.8557217.9792357.314866mammalsactualclID_1295
CHLOROHALOPERIDOLMchr1Melanin-concentrating hormone receptor 14.5331618.593817.250845mammalspredictedclID_1001
CHLORPROMAZINEHTR2A5-hydroxytryptamine receptor 2A6.9080687.8185938.500919mammalspredictedclID_302
CHLORPROMAZINEHtr2b5-hydroxytryptamine receptor 2B6.9080687.376318.199774mammalspredictedclID_302
CHLORPROMAZINEHtr2c5-hydroxytryptamine receptor 2C6.9080687.4390048.298354mammalspredictedclID_302
CHLORPROMAZINEADRA1AAlpha-1A adrenergic receptor6.9080687.7429587.463372mammalspredictedclID_302
CHLORPROMAZINEAdra1bAlpha-1B adrenergic receptor6.9080687.7385357.452877mammalspredictedclID_302
CHLORPROMAZINEAdra1dAlpha-1D adrenergic receptor6.9080687.7132667.497263mammalspredictedclID_302
CHLORPROMAZINEDrd1D(1A) dopamine receptor6.9080687.4360397.07018mammalspredictedclID_302
CHLORPROMAZINEDRD2D(2) dopamine receptor6.9080688.2803797.388453mammalspredictedclID_302
CHLORPROMAZINEDrd3D(3) dopamine receptor6.9080688.1662227.269156mammalspredictedclID_302
CHLORPROMAZINEDRD4D(4) dopamine receptor6.9080687.4516267.100513mammalspredictedclID_302
CHLORPROMAZINE HYDROCHLORIDEDRD2D(2) dopamine receptor5.4515488.2803797.451545mammalsactualclID_302
CINACALCETCASRExtracellular calcium-sensing receptor5.0634128.2054517.09691mammalsactualclID_6420
CINACALCET HYDROCHLORIDECASRExtracellular calcium-sensing receptor5.0278048.2054517.814928mammalsactualclID_6420
CINALUKASTCYSLTR1Cysteinyl leukotriene receptor 14.9368298.1218528.19382mammalsactualclID_7693
CINANSERINHTR2A5-hydroxytryptamine receptor 2A5.301037.8185938.285963mammalsactualclID_3770
CINANSERINHtr2b5-hydroxytryptamine receptor 2B5.301037.376318.473198mammalsactualclID_3770
CINANSERINHtr2c5-hydroxytryptamine receptor 2C5.301037.4390048.342811mammalsactualclID_3770
CLEMASTINEHTR2A5-hydroxytryptamine receptor 2A5.752257.8185937.765626mammalsactualclID_1525
CLEMASTINEHtr2b5-hydroxytryptamine receptor 2B5.752257.376317.540985mammalsactualclID_1525
CLEMASTINEHtr2c5-hydroxytryptamine receptor 2C5.752257.4390047.144181mammalsactualclID_1525
CLEMASTINEADRA1AAlpha-1A adrenergic receptor5.752257.7429587.476752mammalsactualclID_1525
CLEMASTINEAdra1bAlpha-1B adrenergic receptor5.752257.7385357.258992mammalsactualclID_1525
CLEMASTINEAdra1dAlpha-1D adrenergic receptor5.752257.7132667.659379mammalsactualclID_1525
CLEMASTINEDRD2D(2) dopamine receptor5.752258.2803797.106624mammalsactualclID_1525
CLEMASTINEDrd3D(3) dopamine receptor5.752258.1662228.369113mammalsactualclID_1525
CLOMIPRAMINEHTR1A5-hydroxytryptamine receptor 1A4.5226277.9305817.634363mammalsactualclID_1362
CLOMIPRAMINEHTR2A5-hydroxytryptamine receptor 2A4.5226277.8185938.17644mammalsactualclID_1362
CLOMIPRAMINEHtr2b5-hydroxytryptamine receptor 2B4.5226277.376318.099839mammalsactualclID_1362
CLOMIPRAMINEHtr2c5-hydroxytryptamine receptor 2C4.5226277.4390048.193181mammalsactualclID_1362
CLOMIPRAMINEADRA1AAlpha-1A adrenergic receptor4.5226277.7429587.695844mammalsactualclID_1362
CLOMIPRAMINEAdra1bAlpha-1B adrenergic receptor4.5226277.7385357.078184mammalsactualclID_1362
CLOMIPRAMINEAdra1dAlpha-1D adrenergic receptor4.5226277.7132667.035012mammalsactualclID_1362
CLOMIPRAMINEDrd3D(3) dopamine receptor4.5226278.1662227.092444mammalsactualclID_1362
COLFORSINHTR1A5-hydroxytryptamine receptor 1A4.9206247.9305819mammalsactualclID_2585
CP-154526CRHR1Corticotropin-releasing factor receptor 15.2844379.2288618.358958mammalspredictedclID_5004
CP-99994Tacr1Substance-P receptor4.7583949.7095559.275808mammalsactualclID_1699
CV-6209PTAFRPlatelet-activating factor receptor5.6639898.3676227.725216mammalspredictedclID_2685
DEXNIGULDIPINEADRA1AAlpha-1A adrenergic receptor6.603717.7429588.287983mammalsactualclID_802
DEXNIGULDIPINEAdra1bAlpha-1B adrenergic receptor6.603717.7385357.335299mammalsactualclID_802
DEXNIGULDIPINEAdra1dAlpha-1D adrenergic receptor6.603717.7132667.128256mammalsactualclID_802
DIHYDROETORPHINEOprd1Delta-type opioid receptor5.5434857.7700129.69897mammalspredictedclID_4751
DIHYDROETORPHINEOprk1Kappa-type opioid receptor5.5434857.6990649.886057mammalspredictedclID_4751
DIHYDROETORPHINEOprm1Mu-type opioid receptor5.5434857.8606859.721246mammalspredictedclID_4751
DP[TYR(ME)2]AVPAvpr1aVasopressin V1a receptor4.7864887.71467.960189mammalspredictedclID_2005
E-FLUPENTIXOLDrd1D(1A) dopamine receptor5.5384287.4360397.583618mammalspredictedclID_267
ELEDOISINTacr1Substance-P receptor4.5102419.7095559mammalspredictedclID_2005
ELOPIPRAZOLEHTR1A5-hydroxytryptamine receptor 1A5.9586077.9305818.823909mammalsactualclID_4127
EXENATIDEGlp1rGlucagon-like peptide 1 receptor5.1888827.1632039.843176mammalspredictedclID_2926
FLUNARIZINEDrd3D(3) dopamine receptor4.5185938.1662227.247357mammalspredictedclID_355
FLUPENTIXOLDrd1D(1A) dopamine receptor4.7602687.4360398.290481mammalsactualclID_267
FLUPENTIXOLDRD2D(2) dopamine receptor4.7602688.2803797.952399mammalsactualclID_267
FLUPENTIXOLDrd3D(3) dopamine receptor4.7602688.1662228.522879mammalsactualclID_267
FLUPENTIXOLDRD4D(4) dopamine receptor4.7602687.4516268.522879mammalsactualclID_267
FLUPERAMIDEOprm1Mu-type opioid receptor5.9253087.8606859.958607mammalspredictedclID_6355
FLUTROLINEDrd1D(1A) dopamine receptor5.458697.4360397.876188mammalspredictedclID_6792
FLUTROLINEDRD2D(2) dopamine receptor5.458698.2803797.876188mammalspredictedclID_6792
FLUTROLINEDrd3D(3) dopamine receptor5.458698.1662227.876188mammalspredictedclID_6792
FLUTROLINEDRD4D(4) dopamine receptor5.458697.4516267.876188mammalspredictedclID_6792
Fe complexHTR1A5-hydroxytryptamine receptor 1A4.3172897.9305817.568636mammalspredictediron complex
Fe complexADRA1AAlpha-1A adrenergic receptor4.3172897.7429587.136677mammalspredictediron complex
Fe complexAdra1bAlpha-1B adrenergic receptor4.3172897.7385357.136677mammalspredictediron complex
Fe complexAdra1dAlpha-1D adrenergic receptor4.3172897.7132667.136677mammalspredictediron complex
Fe complexDRD2D(2) dopamine receptor4.3172898.2803797.614942mammalspredictediron complex
Fe complexDrd3D(3) dopamine receptor4.3172898.1662227.824876mammalspredictediron complex
GR-127935HTR2A5-hydroxytryptamine receptor 2A5.0649177.8185937.584771mammalsactualclID_1796
HALOPERIDOLHTR2A5-hydroxytryptamine receptor 2A4.7991897.8185937.182611mammalsactualclID_1001
HALOPERIDOLHtr2b5-hydroxytryptamine receptor 2B4.7991897.376317.226378mammalsactualclID_1001
HALOPERIDOLADRA1AAlpha-1A adrenergic receptor4.7991897.7429587.663944mammalsactualclID_1001
HALOPERIDOLAdra1bAlpha-1B adrenergic receptor4.7991897.7385357.676666mammalsactualclID_1001
HALOPERIDOLAdra1dAlpha-1D adrenergic receptor4.7991897.7132667.656753mammalsactualclID_1001
HALOPERIDOLDrd1D(1A) dopamine receptor4.7991897.4360397.641172mammalsactualclID_1001
HALOPERIDOLDRD2D(2) dopamine receptor4.7991898.2803798.339276mammalsactualclID_1001
HALOPERIDOLDrd3D(3) dopamine receptor4.7991898.1662228.098005mammalsactualclID_1001
HALOPERIDOLDRD4D(4) dopamine receptor4.7991897.4516268.10952mammalsactualclID_1001
HONOKIOLCnr1Cannabinoid receptor 14.5391168.1018027.459845mammalsactualclID_228
ICI-199,441Oprd1Delta-type opioid receptor5.1498237.7700127.153809mammalsactualclID_4076
ICI-199,441Oprk1Kappa-type opioid receptor5.1498237.6990649.067038mammalsactualclID_4076
ICI-199,441Oprm1Mu-type opioid receptor5.1498237.8606857.125119mammalsactualclID_4076
L-709210Tacr1Substance-P receptor5.979549.7095558.493825mammalspredictedclID_1042
LOPERAMIDEOprm1Mu-type opioid receptor5.032927.8606858.876082mammalsactualclID_6355
LOSARTAN POTASSIUMAGTR1Type-1 angiotensin II receptor4.554958.4259647.974806mammalsactualclID_774
METHSERGIDEHtr2c5-hydroxytryptamine receptor 2C5.1629397.4390048.508638mammalspredictedclID_4958
METYROSINEDrd1D(1A) dopamine receptor4.9530517.4360397.636388mammalsactualclID_529
N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-3-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX)Cnr1Cannabinoid receptor 14.7624028.1018028.311712mammalspredictedclID_7142
N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3',4'-DIHYDROSPIRO[CYCLOHEXANE-1,2'-PYRANO[2,3-B]PYRIDINE]-4'-YL)-2-HYDROXY-2-METHYLPROPANAMIDE (ENANTIOMERIC MIX)Cnr1Cannabinoid receptor 14.609268.1018028.449815mammalspredictedclID_864
N-[6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-YL]-4,4,4-TRIFLUORO-3-HYDROXYBUTANAMIDE (DIASTEREOMERIC MIX)Cnr1Cannabinoid receptor 14.8657528.1018027.031113mammalspredictedclID_7142
NAFTOPIDILADRA1AAlpha-1A adrenergic receptor5.9829817.7429587.547345mammalsactualclID_1036
NAFTOPIDILAdra1dAlpha-1D adrenergic receptor5.9829817.7132667.690368mammalsactualclID_1036
NAPHTHYRIDINONECnr1Cannabinoid receptor 16.3177348.1018028.124939mammalspredictedclID_1215
NIGULDIPINEADRA1AAlpha-1A adrenergic receptor6.1220527.7429588.577469mammalsactualclID_802
NIGULDIPINEAdra1bAlpha-1B adrenergic receptor6.1220527.7385357.288614mammalsactualclID_802
NIGULDIPINEAdra1dAlpha-1D adrenergic receptor6.1220527.7132667.245142mammalsactualclID_802
NORDIHYDROGUAIARETIC ACIDLtb4rLeukotriene B4 receptor 15.744878.3703477.070581mammalsactualclID_1544
OLANZAPINEHTR2A5-hydroxytryptamine receptor 2A4.7470657.8185938.17339mammalsactualclID_7742
OLANZAPINEHtr2b5-hydroxytryptamine receptor 2B4.7470657.376317.755592mammalsactualclID_7742
OLANZAPINEHtr2c5-hydroxytryptamine receptor 2C4.7470657.4390047.907071mammalsactualclID_7742
OLANZAPINEADRA1AAlpha-1A adrenergic receptor4.7470657.7429587.562341mammalsactualclID_7742
OLANZAPINEAdra1bAlpha-1B adrenergic receptor4.7470657.7385357.583029mammalsactualclID_7742
OLANZAPINEAdra1dAlpha-1D adrenergic receptor4.7470657.7132667.632195mammalsactualclID_7742
OLANZAPINEDrd1D(1A) dopamine receptor4.7470657.4360397.195404mammalsactualclID_7742
OLANZAPINEDRD2D(2) dopamine receptor4.7470658.2803797.588121mammalsactualclID_7742
OLANZAPINEDrd3D(3) dopamine receptor4.7470658.1662227.402076mammalsactualclID_7742
OLANZAPINEDRD4D(4) dopamine receptor4.7470657.4516267.398145mammalsactualclID_7742
ORVEPITANTTacr1Substance-P receptor4.5725569.70955510.350004mammalspredictedclID_1663
OSANETANTTACR2Substance-K receptor6.032078.473867.623215mammalspredictedclID_1341
OXYTOCINAvpr1aVasopressin V1a receptor4.9849817.71467.752034mammalspredictedclID_939
PD-170292CckarCholecystokinin receptor type A6.0024828.3202668.920819mammalspredictedclID_1077
PD-170292CCKBRGastrin/cholecystokinin type B receptor6.0024828.3572128.173925mammalspredictedclID_1077
PENFLURIDOLHTR1A5-hydroxytryptamine receptor 1A5.6633527.9305817.724275mammalsactualclID_1001
PENFLURIDOLDrd1D(1A) dopamine receptor5.6633527.4360397.044455mammalsactualclID_1001
PENFLURIDOLDrd3D(3) dopamine receptor5.6633528.1662227.09162mammalsactualclID_1001
PHENOXYBENZAMINEADRA1AAlpha-1A adrenergic receptor6.0246277.7429588.744727mammalspredictedclID_956
PHENOXYBENZAMINEAdra1bAlpha-1B adrenergic receptor6.0246277.7385358.744727mammalspredictedclID_956
PHENOXYBENZAMINEAdra1dAlpha-1D adrenergic receptor6.0246277.7132668.744727mammalspredictedclID_956
PHYSALAEMINTacr1Substance-P receptor4.7089159.7095559mammalspredictedclID_2005
PIMOZIDEDrd1D(1A) dopamine receptor5.7658547.4360397.493901mammalsactualclID_4167
PIMOZIDEDRD2D(2) dopamine receptor5.7658548.2803797.789236mammalsactualclID_4167
PIMOZIDEDrd3D(3) dopamine receptor5.7658548.1662227.716479mammalsactualclID_4167
PIMOZIDEDRD4D(4) dopamine receptor5.7658547.4516267.716479mammalsactualclID_4167
PRAZOSINADRA1AAlpha-1A adrenergic receptor4.9786097.7429589.003865mammalsactualclID_5167
PRAZOSINAdra1bAlpha-1B adrenergic receptor4.9786097.7385359.000473mammalsactualclID_5167
PRAZOSINAdra1dAlpha-1D adrenergic receptor4.9786097.7132668.996776mammalsactualclID_5167
PRAZOSIN HYDROCHLORIDEADRA1AAlpha-1A adrenergic receptor5.1405357.7429588.740393mammalsactualclID_5167
PRAZOSIN HYDROCHLORIDEAdra1bAlpha-1B adrenergic receptor5.1405357.7385358.758404mammalsactualclID_5167
PRAZOSIN HYDROCHLORIDEAdra1dAlpha-1D adrenergic receptor5.1405357.7132668.59793mammalsactualclID_5167
PYRAZINAMIDEDrd1D(1A) dopamine receptor4.9005497.4360398.036212mammalsactualclID_7678
Ruthenium complexHTR1A5-hydroxytryptamine receptor 1A4.730447.9305817.113509mammalspredictedruthenium complex
Ruthenium complexADRA1AAlpha-1A adrenergic receptor4.730447.7429587.585027mammalspredictedruthenium complex
Ruthenium complexAdra1bAlpha-1B adrenergic receptor4.730447.7385357.585027mammalspredictedruthenium complex
Ruthenium complexAdra1dAlpha-1D adrenergic receptor4.730447.7132667.585027mammalspredictedruthenium complex
Ruthenium complexDRD2D(2) dopamine receptor4.730448.2803797.643675mammalspredictedruthenium complex
Ruthenium complexDrd3D(3) dopamine receptor4.730448.1662227.372226mammalspredictedruthenium complex
SAREDUTANTTacr1Substance-P receptor5.7752979.7095557.205428mammalspredictedclID_1341
SAREDUTANTTACR2Substance-K receptor5.7752978.473868.898499mammalspredictedclID_1341
SELEPRESSINAvpr1aVasopressin V1a receptor5.2069557.71468.939857mammalspredictedclID_939
SERTINDOLEHTR1A5-hydroxytryptamine receptor 1A5.9699097.9305817.481486mammalsactualclID_6299
SERTINDOLEHTR2A5-hydroxytryptamine receptor 2A5.9699097.8185939.377314mammalsactualclID_6299
SERTINDOLEHtr2b5-hydroxytryptamine receptor 2B5.9699097.376319.386391mammalsactualclID_6299
SERTINDOLEHtr2c5-hydroxytryptamine receptor 2C5.9699097.4390049.344634mammalsactualclID_6299
SERTINDOLEADRA1AAlpha-1A adrenergic receptor5.9699097.7429588.829211mammalsactualclID_6299
SERTINDOLEAdra1bAlpha-1B adrenergic receptor5.9699097.7385358.856975mammalsactualclID_6299
SERTINDOLEAdra1dAlpha-1D adrenergic receptor5.9699097.7132668.752961mammalsactualclID_6299
SERTINDOLEDrd1D(1A) dopamine receptor5.9699097.4360397.2993mammalsactualclID_6299
SERTINDOLEDRD2D(2) dopamine receptor5.9699098.2803798.678579mammalsactualclID_6299
SERTINDOLEDrd3D(3) dopamine receptor5.9699098.1662228.335606mammalsactualclID_6299
SERTINDOLEDRD4D(4) dopamine receptor5.9699097.4516267.818194mammalsactualclID_6299
SORAFENIBHtr2b5-hydroxytryptamine receptor 2B5.1915897.376317.251812mammalsactualclID_4696
SPARSENTANAGTR1Type-1 angiotensin II receptor4.8294758.4259649.09691mammalspredictedclID_8749
SPERGUALINTacr1Substance-P receptor4.7194629.7095558.999995mammalsactualclID_3362
SRX246Avpr1aVasopressin V1a receptor4.801617.71468.896196mammalspredictedclID_6134
TECALCET HYDROCHLORIDECASRExtracellular calcium-sensing receptor4.8460588.2054517.09691mammalsactualclID_10518
THIMEROSALDrd3D(3) dopamine receptor5.7255078.1662227.304092mammalsactualorganomercury
THIORIDAZINEHTR2A5-hydroxytryptamine receptor 2A5.1745747.8185937.770472mammalsactualclID_4843
THIORIDAZINEHtr2b5-hydroxytryptamine receptor 2B5.1745747.376317.359416mammalsactualclID_4843
THIORIDAZINEHtr2c5-hydroxytryptamine receptor 2C5.1745747.4390047.486819mammalsactualclID_4843
THIORIDAZINEADRA1AAlpha-1A adrenergic receptor5.1745747.7429587.582719mammalsactualclID_4843
THIORIDAZINEAdra1bAlpha-1B adrenergic receptor5.1745747.7385357.576849mammalsactualclID_4843
THIORIDAZINEAdra1dAlpha-1D adrenergic receptor5.1745747.7132667.563576mammalsactualclID_4843
THIORIDAZINEDRD2D(2) dopamine receptor5.1745748.2803797.474398mammalsactualclID_4843
THIORIDAZINEDrd3D(3) dopamine receptor5.1745748.1662227.404469mammalsactualclID_4843
TRIFLUOPERAZINEHTR2A5-hydroxytryptamine receptor 2A5.2417257.8185938.398967mammalspredictedclID_4249
TRIFLUOPERAZINEHtr2b5-hydroxytryptamine receptor 2B5.2417257.376318.632856mammalspredictedclID_4249
TRIFLUOPERAZINEHtr2c5-hydroxytryptamine receptor 2C5.2417257.4390048.257419mammalspredictedclID_4249
TRIFLUOPERAZINEDRD2D(2) dopamine receptor5.2417258.2803797.880815mammalspredictedclID_4249
VASOPRESSINAvpr1aVasopressin V1a receptor4.6868517.71469.127829mammalspredictedclID_2005
VASOPRESSINAVPR2Vasopressin V2 receptor4.6868517.8791769.094843mammalspredictedclID_2005
VIGABATRINDrd1D(1A) dopamine receptor4.7623277.4360398.431798mammalsactualclID_8177
XYLOMETAZOLINEADRA1AAlpha-1A adrenergic receptor5.4925487.7429587.369311mammalspredictedclID_2569
XYLOMETAZOLINEAdra1bAlpha-1B adrenergic receptor5.4925487.7385357.391201mammalspredictedclID_2569
XYLOMETAZOLINEAdra1dAlpha-1D adrenergic receptor5.4925487.7132667.391201mammalspredictedclID_2569
YOHIMBINEHTR1A5-hydroxytryptamine receptor 1A5.2409257.9305817.021148mammalspredictedclID_4255
ZAFIRLUKASTCYSLTR1Cysteinyl leukotriene receptor 14.5116048.1218528.869426mammalsactualclID_3257
ZAFIRLUKASTCYSLTR2Cysteinyl leukotriene receptor 24.5116048.0389028.310957mammalsactualclID_3257
ZIPRASIDONE HYDROCHLORIDEDrd1D(1A) dopamine receptor5.0595047.4360397.442668mammalsactualclID_6064
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with tyrosine-kinases. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
AEE-788EGFREpidermal growth factor receptor5.9995228.4366278.314924mammalsactualclID_1012
AEE-788ERBB2Receptor tyrosine-protein kinase erbB-25.9995228.2004758.69897mammalsactualclID_1012
AEE-788KdrVascular endothelial growth factor receptor 25.9995227.824727.113509mammalsactualclID_1012
ASP-3026Tnk2Activated CDC42 kinase 15.2168537.7304248.30103mammalsactualclID_4452
BIOTINABL1Tyrosine-protein kinase ABL14.6464057.7134517.628291mammalsactualclID_6631
CABOZANTINIBFGFR1Fibroblast growth factor receptor 14.6668397.4603427.946922mammalsactualclID_4744
CABOZANTINIBMETHepatocyte growth factor receptor4.6668397.4406358.233173mammalsactualclID_4744
CABOZANTINIBTEKAngiopoietin-1 receptor4.6668398.2783087.844664mammalsactualclID_4744
CABOZANTINIBKdrVascular endothelial growth factor receptor 24.6668397.824728.50106mammalsactualclID_4744
CABOZANTINIB S-MALATEMETHepatocyte growth factor receptor7.313677.4406358.077203mammalspredictedclID_213
CABOZANTINIB S-MALATEKdrVascular endothelial growth factor receptor 27.313677.824728.522879mammalspredictedclID_213
CEP-32496ABL1Tyrosine-protein kinase ABL14.6750347.7134517.911954mammalsactualclID_10342
CEP-32496EGFREpidermal growth factor receptor4.6750348.4366277.657577mammalsactualclID_10342
CEP-32496KdrVascular endothelial growth factor receptor 24.6750347.824728.09691mammalsactualclID_10342
CGP-53353FGFR1Fibroblast growth factor receptor 15.7927157.4603427.376664mammalsactualclID_670
CGP-53353IGF1RInsulin-like growth factor 1 receptor5.7927157.6035177.369751mammalsactualclID_670
CGP-53353INSRInsulin receptor5.7927157.9452687.487076mammalsactualclID_670
CYC-116KdrVascular endothelial growth factor receptor 25.0780357.824727.072563mammalsactualclID_5848
DACOMITINIBEGFREpidermal growth factor receptor5.7720018.4366278.077544mammalsactualclID_992
DACOMITINIBERBB2Receptor tyrosine-protein kinase erbB-25.7720018.2004758.069477mammalsactualclID_992
DASATINIBABL1Tyrosine-protein kinase ABL15.0472987.7134518.168396mammalsactualclID_5901
DASATINIBTnk2Activated CDC42 kinase 15.0472987.7304248.178818mammalsactualclID_5901
DASATINIBBtkTyrosine-protein kinase BTK5.0472987.690297.172445mammalsactualclID_5901
DASATINIBSRCProto-oncogene tyrosine-protein kinase Src5.0472987.768287.752187mammalsactualclID_5901
DOVITINIBFGFR1Fibroblast growth factor receptor 14.650487.4603427.242514mammalsactualclID_9575
DOVITINIBKdrVascular endothelial growth factor receptor 24.650487.824727.407571mammalsactualclID_9575
ENTRECTINIBTnk2Activated CDC42 kinase 15.3673577.7304247.010564mammalsactualclID_3315
ENTRECTINIBSRCProto-oncogene tyrosine-protein kinase Src5.3673577.768287.500038mammalsactualclID_3315
ERLOTINIB HYDROCHLORIDEEGFREpidermal growth factor receptor4.5409898.4366277.11852mammalsactualclID_3557
FALNIDAMOLEGFREpidermal growth factor receptor5.0745348.4366278.522879mammalsactualclID_5219
GW632580XBtkTyrosine-protein kinase BTK4.8612477.690299mammalsactualclID_780
GW632580XEGFREpidermal growth factor receptor4.8612478.4366279mammalsactualclID_780
GW632580XIGF1RInsulin-like growth factor 1 receptor4.8612477.6035177.091793mammalsactualclID_780
GW632580XINSRInsulin receptor4.8612477.9452687.418024mammalsactualclID_780
GW632580XMETHepatocyte growth factor receptor4.8612477.4406357.6mammalsactualclID_780
HERBIMYCINBtkTyrosine-protein kinase BTK5.1225797.690297.344315mammalspredictedclID_2407
HERBIMYCINEGFREpidermal growth factor receptor5.1225798.4366279mammalspredictedclID_2407
HERBIMYCINIGF1RInsulin-like growth factor 1 receptor5.1225797.6035178.345053mammalspredictedclID_2407
HERBIMYCININSRInsulin receptor5.1225797.9452689mammalspredictedclID_2407
HERBIMYCINMETHepatocyte growth factor receptor5.1225797.4406357.329271mammalspredictedclID_2407
HERBIMYCINSRCProto-oncogene tyrosine-protein kinase Src5.1225797.768287.530349mammalspredictedclID_2407
HKI-357EGFREpidermal growth factor receptor5.5431198.4366277.468521mammalsactualclID_730
HKI-357ERBB2Receptor tyrosine-protein kinase erbB-25.5431198.2004757.481486mammalsactualclID_730
ICOTINIBEGFREpidermal growth factor receptor5.3301568.4366277.013411mammalsactualclID_3557
JNJ-38877605METHepatocyte growth factor receptor4.6904737.4406357.51179mammalsactualclID_10534
KENPAULLONEEGFREpidermal growth factor receptor4.7714688.4366277.633334mammalsactualclID_253
KENPAULLONEIGF1RInsulin-like growth factor 1 receptor4.7714687.6035177.59214mammalsactualclID_253
KENPAULLONETEKAngiopoietin-1 receptor4.7714688.2783087.845098mammalsactualclID_253
KX2-391SRCProto-oncogene tyrosine-protein kinase Src5.599087.768287.69897mammalsactualclID_2071
LINSITINIBIGF1RInsulin-like growth factor 1 receptor5.1517937.6035177.887617mammalsactualclID_1409
LINSITINIBINSRInsulin receptor5.1517937.9452687.320681mammalsactualclID_1409
MASITINIBABL1Tyrosine-protein kinase ABL15.3556387.7134517.500654mammalsactualclID_3395
OSI-930KdrVascular endothelial growth factor receptor 297.824728.173394mammalsactualclID_99
OSIMERTINIBEGFREpidermal growth factor receptor5.0266328.4366277.479191mammalsactualclID_6428
OSIMERTINIBERBB2Receptor tyrosine-protein kinase erbB-25.0266328.2004757.422816mammalsactualclID_6428
PAZOPANIBKdrVascular endothelial growth factor receptor 24.9697867.824727.15109mammalsactualclID_7154
PD-0166285ABL1Tyrosine-protein kinase ABL15.4651597.7134519.299989mammalsactualclID_1477
PD-0166285Tnk2Activated CDC42 kinase 15.4651597.7304248.899974mammalsactualclID_1477
PD-0166285BtkTyrosine-protein kinase BTK5.4651597.690298mammalsactualclID_1477
PD-0166285FGFR1Fibroblast growth factor receptor 15.4651597.4603427.447761mammalsactualclID_1477
PD-0166285SRCProto-oncogene tyrosine-protein kinase Src5.4651597.768288.045757mammalsactualclID_1477
PD-0166285KdrVascular endothelial growth factor receptor 25.4651597.824728.100015mammalsactualclID_1477
PELITINIBEGFREpidermal growth factor receptor5.7007448.4366278.295255mammalsactualclID_730
PONATINIBABL1Tyrosine-protein kinase ABL14.6272567.7134518.03767mammalsactualclID_4006
PONATINIBFGFR1Fibroblast growth factor receptor 14.6272567.4603428.97205mammalsactualclID_4006
PONATINIBSRCProto-oncogene tyrosine-protein kinase Src4.6272567.768288.151508mammalsactualclID_4006
PONATINIBKdrVascular endothelial growth factor receptor 24.6272567.824728.639854mammalsactualclID_4006
RIPRETINIBKdrVascular endothelial growth factor receptor 25.0782397.824727.008774mammalspredictedclID_1121
RIVOCERANIB MESYLATEKdrVascular endothelial growth factor receptor 25.3867537.824729mammalsactualclID_6137
ROCILETINIBEGFREpidermal growth factor receptor5.7492548.4366277.443916mammalsactualclID_1532
ROCILETINIBERBB2Receptor tyrosine-protein kinase erbB-25.7492548.2004757.578876mammalsactualclID_1532
SGX-523METHepatocyte growth factor receptor4.6077597.4406357.582089mammalsactualclID_11897
SIROLIMUSABL1Tyrosine-protein kinase ABL15.5128847.7134517.502399mammalsactualclID_265
SIROLIMUSBtkTyrosine-protein kinase BTK5.5128847.690297.502399mammalsactualclID_265
SIROLIMUSEGFREpidermal growth factor receptor5.5128848.4366279mammalsactualclID_265
SIROLIMUSFGFR1Fibroblast growth factor receptor 15.5128847.4603427.115569mammalsactualclID_265
SIROLIMUSIGF1RInsulin-like growth factor 1 receptor5.5128847.6035177.458617mammalsactualclID_265
SIROLIMUSINSRInsulin receptor5.5128847.9452687.492174mammalsactualclID_265
SIROLIMUSMETHepatocyte growth factor receptor5.5128847.4406357.639377mammalsactualclID_265
SIROLIMUSKdrVascular endothelial growth factor receptor 25.5128847.824727.690106mammalsactualclID_265
SORAFENIBKdrVascular endothelial growth factor receptor 25.1915897.824727.375408mammalsactualclID_4696
SORAFENIB TOSYLATEKdrVascular endothelial growth factor receptor 25.4319087.824727.877083mammalsactualclID_4696
TANESPIMYCINERBB2Receptor tyrosine-protein kinase erbB-24.5826918.2004757.508638mammalsactualclID_2407
TYRPHOSTIN AG-1478EGFREpidermal growth factor receptor5.4524548.4366277.793196mammalsactualclID_681
TYRPHOSTIN AG-1478IGF1RInsulin-like growth factor 1 receptor5.4524547.6035178.345053mammalsactualclID_681
TYRPHOSTIN AG-1478INSRInsulin receptor5.4524547.9452687.997818mammalsactualclID_681
TYRPHOSTIN AG-1478TEKAngiopoietin-1 receptor5.4524548.2783087.344315mammalsactualclID_681
VANDETANIBABL1Tyrosine-protein kinase ABL15.0215457.7134517.206383mammalsactualclID_1562
VANDETANIBEGFREpidermal growth factor receptor5.0215458.4366277.436342mammalsactualclID_1562
VANDETANIBSRCProto-oncogene tyrosine-protein kinase Src5.0215457.768287.033278mammalsactualclID_1562
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with DNA/RNA binding proteins. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
18-OXOFERRUGINOLrepReplicase polyprotein 1ab5.37836712.6499265.378367virusactualclID_3387
5-FLUOROISATINrepReplicase polyprotein 1ab5.67492212.6499265.674922virusactualclID_286
5-IODOISATINrepReplicase polyprotein 1ab5.81529812.6499265.815298virusactualclID_286
5-METHOXYISATINrepReplicase polyprotein 1ab6.30893812.6499266.308938virusactualclID_286
5-NITROISATINrepReplicase polyprotein 1ab6.19190612.6499266.191906virusactualclID_286
ABIETIC ACIDrepReplicase polyprotein 1ab5.14017912.6499265.140179virusactualclID_672
ACUTISSIMATRITERPENE AreverseReverse transcriptase4.7912657.6824665.095933viruspredictedclID_7283
ACUTISSIMATRITERPENE BreverseReverse transcriptase5.4410747.6824665.286131viruspredictedclID_2585
AGATHISFLAVONEreverseReverse transcriptase5.2658657.6824667.698101viruspredictedclID_459
AMENTOFLAVONEreverseReverse transcriptase5.0809227.6824666.556749virusactualclID_459
CELASTROLrepReplicase polyprotein 1ab5.37675112.6499265.181957virusactualclID_2475
DAPIVIRINEreverseReverse transcriptase5.6928747.6824667.020573virusactualclID_1716
DIECKOLrepReplicase polyprotein 1ab5.61978912.6499265.247119virusactualclID_1978
DIHYDROTANSHINONE I1aReplicase polyprotein 1a5.92081912.3016045.161707virusactualclID_1151
DINACICLIBCHD4Chromodomain-helicase-DNA-binding protein 45.58621911.4734688.522879mammalsactualclID_2117
EFAVIRENZreverseReverse transcriptase4.6740377.6824667.539352virusactualclID_5637
FERRUGINOLrepReplicase polyprotein 1ab5.35669512.6499266.103757virusactualclID_3387
GOSSYPOLreverseReverse transcriptase5.2946617.6824665.472076virusactualclID_3821
IGUESTERINrepReplicase polyprotein 1ab6.0969112.6499265.840968virusactualclID_3098
ISOPIMARIC ACIDrepReplicase polyprotein 1ab4.60902812.6499264.609028virusactualclID_672
KAYADIOLrepReplicase polyprotein 1ab5.48176612.6499265.481766virusactualclID_2636
MORELLOFLAVONEreverseReverse transcriptase5.4624127.6824667.093422viruspredictedclID_4617
PRISTIMERINrepReplicase polyprotein 1ab5.50863812.6499265.384138virusactualclID_2475
PUNICACORTEIN CreverseReverse transcriptase4.7235797.6824665.004964viruspredictedclID_348
RILPIVIRINEreverseReverse transcriptase5.661497.6824667.412608virusactualclID_1716
ROBUSTAFLAVONEreverseReverse transcriptase6.6520987.6824666.026448viruspredictedclID_459
SWERTIPUNICOSIDEreverseReverse transcriptase4.7172747.6824665.364582viruspredictedclID_9523
TINGENONErepReplicase polyprotein 1ab5.3979412.6499265.201152virusactualclID_3098
TOXICOL BreverseReverse transcriptase5.3416637.6824665.118165viruspredictedclID_3492
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with voltage-gated ion channels. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
AMIODARONECACNA1FVoltage-dependent L-type calcium channel subunit alpha-1F5.15958.559796.144941mammalsactualclID_6596
AMPEROZIDE HYDROCHLORIDEKCNH2Potassium voltage-gated channel subfamily H member 24.7783377.9464837.250264mammalsactualclID_827
ANANDAMIDETrpv1Transient receptor potential cation channel subfamily V member 15.1712478.1585086.409254mammalspredictedclID_4809
ASTEMIZOLEKCNH2Potassium voltage-gated channel subfamily H member 25.9586077.9464838.065956mammalsactualclID_1081
CHLORPROMAZINETrpv1Transient receptor potential cation channel subfamily V member 16.9080688.1585086.085027mammalspredictedclID_302
CILNIDIPINECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C4.6652348.5162078.25449mammalsactualclID_6999
CILNIDIPINECacna1dVoltage-dependent L-type calcium channel subunit alpha-1D4.6652348.3323428.958607mammalsactualclID_6999
CILNIDIPINECACNA1SVoltage-dependent L-type calcium channel subunit alpha-1S4.6652348.4538138.958607mammalsactualclID_6999
CLEMASTINEKCNH2Potassium voltage-gated channel subfamily H member 25.752257.9464836.564383mammalsactualclID_1525
CORT 108297KCNH2Potassium voltage-gated channel subfamily H member 25.2984617.9464836.09691mammalspredictedclID_3793
CURCUMINKCNK2Potassium channel subfamily K member 25.31975410.8306316.031517mammalsactualclID_3628
DEXNIGULDIPINECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C6.603718.5162077.130119mammalsactualclID_802
DEXNIGULDIPINECacna1dVoltage-dependent L-type calcium channel subunit alpha-1D6.603718.3323427.130119mammalsactualclID_802
DEXNIGULDIPINECACNA1SVoltage-dependent L-type calcium channel subunit alpha-1S6.603718.4538137.130119mammalsactualclID_802
DRONEDARONECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C5.4067148.5162076.39794mammalsactualclID_3033
DRONEDARONEKCNH2Potassium voltage-gated channel subfamily H member 25.4067147.9464836.011438mammalsactualclID_3033
ELTROMBOPAGKCNH2Potassium voltage-gated channel subfamily H member 25.0824947.9464836.180575mammalsactualclID_5799
FANCHININCACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C5.5627268.5162076.13mammalsactualclID_186
FANCHININCacna1dVoltage-dependent L-type calcium channel subunit alpha-1D5.5627268.3323426.13mammalsactualclID_186
FANCHININCACNA1SVoltage-dependent L-type calcium channel subunit alpha-1S5.5627268.4538136.13mammalsactualclID_186
FANTOFARONECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C5.211348.5162076.847408mammalspredictedclID_2863
FLUNARIZINECacna2d1Voltage-dependent calcium channel subunit alpha-2/delta-14.5185939.4596227.09691mammalspredictedclID_355
FLUNARIZINECACNA1BVoltage-dependent N-type calcium channel subunit alpha-1B4.5185938.756716.767003mammalspredictedclID_355
FLUNARIZINECACNA1GVoltage-dependent T-type calcium channel subunit alpha-1G4.5185938.8155556.275724mammalspredictedclID_355
FLUNARIZINECACNA1IVoltage-dependent T-type calcium channel subunit alpha-1I4.5185938.8676096.075721mammalspredictedclID_355
FLUNARIZINECacnb1Voltage-dependent L-type calcium channel subunit beta-14.5185939.6444217.09691mammalspredictedclID_355
FLUNARIZINEKCNH2Potassium voltage-gated channel subfamily H member 24.5185937.9464836.260963mammalspredictedclID_355
FLUNARIZINE HYDROCHLORIDEKCNH2Potassium voltage-gated channel subfamily H member 25.3645357.9464836.349984mammalsactualclID_355
FLUSPIRILENEKCNH2Potassium voltage-gated channel subfamily H member 25.3564247.9464836.069155mammalsactualclID_4784
HALOPERIDOLKCNH2Potassium voltage-gated channel subfamily H member 24.7991897.9464837.180601mammalsactualclID_1001
INDOMETHACINTrpv1Transient receptor potential cation channel subfamily V member 14.7387328.1585086.174369mammalsactualclID_7591
LIDOFLAZINEKCNH2Potassium voltage-gated channel subfamily H member 25.9683627.9464837.799971mammalsactualclID_1059
LOPERAMIDEKCNH2Potassium voltage-gated channel subfamily H member 25.032927.9464837.481486mammalsactualclID_6355
LORATADINEKCNH2Potassium voltage-gated channel subfamily H member 25.796337.9464836.765331mammalsactualclID_7357
MIBEFRADILCACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C6.6358358.5162076.22266mammalspredictedclID_6251
MIBEFRADILCacna1dVoltage-dependent L-type calcium channel subunit alpha-1D6.6358358.3323426.169266mammalspredictedclID_6251
MIBEFRADILCACNA1FVoltage-dependent L-type calcium channel subunit alpha-1F6.6358358.559796.549653mammalspredictedclID_6251
MIBEFRADILCacna1hVoltage-dependent T-type calcium channel subunit alpha-1H6.6358358.2031866.268285mammalspredictedclID_6251
MIBEFRADILCACNA1IVoltage-dependent T-type calcium channel subunit alpha-1I6.6358358.8676096.595229mammalspredictedclID_6251
MIBEFRADILCACNA1SVoltage-dependent L-type calcium channel subunit alpha-1S6.6358358.4538136.169266mammalspredictedclID_6251
MIBEFRADILScn4aSodium channel protein type 4 subunit alpha6.6358359.4521186.035343mammalspredictedclID_6251
N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-3-HYDROXYPROPANAMIDE (ENANTIOMERIC MIX)KCNH2Potassium voltage-gated channel subfamily H member 24.7624027.9464836.420216mammalspredictedclID_7142
NIFEDIPINECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C4.6837678.5162076.193024mammalsactualclID_6999
NIFEDIPINECacna1dVoltage-dependent L-type calcium channel subunit alpha-1D4.6837678.3323426.019461mammalsactualclID_6999
NIGULDIPINECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C6.1220528.5162078.264371mammalsactualclID_802
NIGULDIPINECacna1dVoltage-dependent L-type calcium channel subunit alpha-1D6.1220528.3323428.337242mammalsactualclID_802
NIGULDIPINECACNA1SVoltage-dependent L-type calcium channel subunit alpha-1S6.1220528.4538138.337242mammalsactualclID_802
OLANZAPINEKCNH2Potassium voltage-gated channel subfamily H member 24.7470657.9464836.695497mammalsactualclID_7742
OLVANILTrpv1Transient receptor potential cation channel subfamily V member 14.5636248.1585086.979196mammalsactualclID_219
PIMOZIDECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C5.7658548.5162076.705137mammalsactualclID_4167
PIMOZIDECacna1dVoltage-dependent L-type calcium channel subunit alpha-1D5.7658548.3323426.705137mammalsactualclID_4167
PIMOZIDECACNA1FVoltage-dependent L-type calcium channel subunit alpha-1F5.7658548.559796.705137mammalsactualclID_4167
PIMOZIDECACNA1GVoltage-dependent T-type calcium channel subunit alpha-1G5.7658548.8155557.39794mammalsactualclID_4167
PIMOZIDECACNA1SVoltage-dependent L-type calcium channel subunit alpha-1S5.7658548.4538136.705137mammalsactualclID_4167
PIMOZIDEKCNH2Potassium voltage-gated channel subfamily H member 25.7658547.9464837.438449mammalsactualclID_4167
PIMOZIDEScn4aSodium channel protein type 4 subunit alpha5.7658549.4521187.267606mammalsactualclID_4167
PRANIDIPINECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C4.8827288.5162077.431798mammalsactualclID_6999
PRANIDIPINECacna1dVoltage-dependent L-type calcium channel subunit alpha-1D4.8827288.3323427.431798mammalsactualclID_6999
QUINIDINEKCNH2Potassium voltage-gated channel subfamily H member 24.8567497.9464836.364291mammalsactualclID_530
SB-705498Trpv1Transient receptor potential cation channel subfamily V member 15.260668.1585086.85082mammalsactualclID_4112
SERTINDOLEKCNH2Potassium voltage-gated channel subfamily H member 25.9699097.9464838.0596mammalsactualclID_6299
THIORIDAZINEKCNH2Potassium voltage-gated channel subfamily H member 25.1745747.9464836.847955mammalsactualclID_4843
VANOXERINECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C6.5273348.5162076.49485mammalspredictedclID_462
VERAPAMILCACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C4.7154058.5162077.059805mammalsactualclID_523
VERAPAMILCacna1dVoltage-dependent L-type calcium channel subunit alpha-1D4.7154058.3323427.373075mammalsactualclID_523
VERAPAMILCACNA1FVoltage-dependent L-type calcium channel subunit alpha-1F4.7154058.559796.69897mammalsactualclID_523
VERAPAMILCACNA1SVoltage-dependent L-type calcium channel subunit alpha-1S4.7154058.4538137.369483mammalsactualclID_523
VERAPAMILKCNH2Potassium voltage-gated channel subfamily H member 24.7154057.9464836.829336mammalsactualclID_523
YOHIMBINECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C5.2409258.5162077.346787mammalspredictedclID_4255
Z160Cacna2d1Voltage-dependent calcium channel subunit alpha-2/delta-15.1909829.4596226.276952mammalsactualclID_933
Z160CACNA1BVoltage-dependent N-type calcium channel subunit alpha-1B5.1909828.756716.958607mammalsactualclID_933
Z160Cacnb1Voltage-dependent L-type calcium channel subunit beta-15.1909829.6444216.276952mammalsactualclID_933
ZIPRASIDONE HYDROCHLORIDEKCNH2Potassium voltage-gated channel subfamily H member 25.0595047.9464836.919987mammalsactualclID_6064
ZUCLOMIPHENEKCNH2Potassium voltage-gated channel subfamily H member 24.6358137.9464836.74mammalspredictedclID_2790
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with steroid synthesis enzymes. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
AMIODARONEEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.15958.4751167.60206mammalsactualclID_6596
AMIODARONEERG2C-8 sterol isomerase5.15958.7352317.207608fungiactualclID_6596
ARTEMINOLIDEFNTAProtein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha5.8453828.6859476.443697widespreadpredictedclID_2585
ARTEMINOLIDERAM1Protein farnesyltransferase subunit beta5.8453828.6751316.443697widespreadpredictedclID_2585
AVASIMIBESoat1Sterol O-acyltransferase 15.8695848.1587696.066123mammalsactualclID_977
DaporinadFNTAProtein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha5.0241538.6859478.769551widespreadactualclID_4157
DaporinadRAM1Protein farnesyltransferase subunit beta5.0241538.6751318.769551widespreadactualclID_4157
EVACETRAPIBCETPCholesteryl ester transfer protein6.2705948.457797.271817mammalsactualclID_635
HALOPERIDOLEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase4.7991898.4751166.721246mammalsactualclID_1001
HALOPERIDOLERG2C-8 sterol isomerase4.7991898.7352319.30103fungiactualclID_1001
LONAFARNIBFNTAProtein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha8.0614138.6859478.086193widespreadactualclID_150
LONAFARNIBRAM1Protein farnesyltransferase subunit beta8.0614138.6751318.246537widespreadactualclID_150
LOVASTATINFNTAProtein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha5.1144568.6859475.954243widespreadactualclID_5420
LOVASTATINRAM1Protein farnesyltransferase subunit beta5.1144568.6751315.954243widespreadactualclID_5420
NAFOXIDINEEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.0726868.4751169.045757mammalspredictedclID_5910
NAFOXIDINEERG2C-8 sterol isomerase5.0726868.7352316.634512fungipredictedclID_5910
RONIPAMILEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.4093238.4751168.69897mammalspredictedclID_3021
RONIPAMILERG2C-8 sterol isomerase5.4093238.7352317.886057fungipredictedclID_3021
TAMOXIFENEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase4.7710748.4751166.262845mammalsactualclID_500
TETRAHYDROQUINOLINE ACETPCholesteryl ester transfer protein5.1586948.457796.581132mammalspredictedclID_4992
TRIFLUOPERAZINEEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.2417258.4751168.09691mammalspredictedclID_4249
TRIFLUOPERAZINEERG2C-8 sterol isomerase5.2417258.7352316.30103fungipredictedclID_4249
TRIPARANOLEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.2773288.4751166.529304mammalsactualclID_3965
TRIPARANOLERG2C-8 sterol isomerase5.2773288.7352318.69897fungiactualclID_3965
ZUCLOMIPHENEEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase4.6358138.4751168.69897mammalspredictedclID_2790
ZUCLOMIPHENEERG2C-8 sterol isomerase4.6358138.7352318.69897fungipredictedclID_2790
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with Ub-ligases and bromodomains. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
ANTHRALINSIRT5NAD-dependent protein deacylase sirtuin-5, mitochondrial4.6944028.4059387mammalsactualclID_7432
APABETALONEBRD4Bromodomain-containing protein 44.935617.5759576.0655mammalsactualclID_10703
APICIDIN1MB.92Histone deacetylase4.55978610.0920658.329622protozoanactualclID_1175
APICIDIN56k.08Histone deacetylase4.55978610.3727229protozoanactualclID_1175
CGM-097Mdm2E3 ubiquitin-protein ligase Mdm24.7121298.1879678.036578mammalsactualclID_6248
DINACICLIBBRD4Bromodomain-containing protein 45.5862197.5759574.721246mammalsactualclID_2117
GW7647SIRT5NAD-dependent protein deacylase sirtuin-5, mitochondrial4.7269498.4059385.102373mammalsactualclID_7685
L-STINGINMdm2E3 ubiquitin-protein ligase Mdm25.2053168.1879677.134956mammalspredictedclID_2926
MANADOSTEROL AUBE2V1Ubiquitin-conjugating enzyme E2 variant 17.10744413.2796846.772879mammalspredictedclID_2350
MANADOSTEROL BUBE2V1Ubiquitin-conjugating enzyme E2 variant 16.49987413.2796846.886057mammalspredictedclID_2350
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with proteases. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-ethyl)-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid;Co complexpolPol polyprotein4.8369518.7538595.124939viruspredictedcobalt complex
3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-ethyl)-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid;Mn complexhumanRhinovirusProteasehumanRhinovirusProtease4.7425929.14566.03786viruspredictedmanganese complex
3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-ethyl)-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid;Mn complexpolPol polyprotein4.7425928.7538596.82284viruspredictedmanganese complex
AMENTOFLAVONEBACE1Beta-secretase 15.0809227.4707565.812479mammalsactualclID_459
AMPRENAVIRpolPol polyprotein4.8533958.7538598.823247virusactualclID_1897
AMPRENAVIRhumanRhinovirusProteasehumanRhinovirusProtease4.8533959.1450429.047128virusactualclID_1897
AZD-3839BACE1Beta-secretase 14.8508397.4707567.867264mammalspredictedclID_3750
CAPTOPRILRENRenin5.5584658.2559798.769551mammalsactualclID_2251
CHLOROQUINEBACE1Beta-secretase 15.6843927.4707565.017033mammalsactualclID_1740
COLOSSOLACTONE VIIhumanRhinovirusProteasehumanRhinovirusProtease5.3359469.1450424.607346viruspredictedclID_2585
CURCUMINBACE1Beta-secretase 15.3197547.4707565.259925mammalsactualclID_3628
DARUNAVIRpolPol polyprotein4.798978.7538598.574985virusactualclID_1897
DARUNAVIRhumanRhinovirusProteasehumanRhinovirusProtease4.798979.1450429.917553virusactualclID_1897
DIECKOLBACE1Beta-secretase 15.6197897.4707565.739758mammalsactualclID_1978
ECKOLBACE1Beta-secretase 15.17.4707564.885313mammalsactualclID_1978
EFAVIRENZpolPol polyprotein4.6740378.7538596.11912virusactualclID_5637
ELLAGIC ACIDBACE1Beta-secretase 17.6472777.4707565.408935mammalsactualclID_459
ESCIN IVChumanRhinovirusProteasehumanRhinovirusProtease5.1831099.1450424.734968viruspredictedclID_2585
GINKGETINBACE1Beta-secretase 14.5199937.4707565.378824mammalsactualclID_459
HALOPERIDOLhumanRhinovirusProteasehumanRhinovirusProtease4.7991899.14567virusactualclID_1001
HALOPERIDOLpolPol polyprotein4.7991898.7538597virusactualclID_1001
INDINAVIRhumanRhinovirusProteasehumanRhinovirusProtease4.6210069.14568.481486virusactualclID_939
INDINAVIRpolPol polyprotein4.6210068.7538598.430111virusactualclID_939
INDINAVIRhumanRhinovirusProteasehumanRhinovirusProtease4.6210069.1450428.477442virusactualclID_939
INDINAVIRHIV-1HIV-1 protease4.62100610.095729.420216virusactualclID_939
INDINAVIR SULFATEpolPol polyprotein7.0897988.7538598.344123viruspredictedclID_2034
INDOMETHACINAPH1AGamma-secretase subunit APH-1A4.7387328.1491945.052178mammalsactualclID_7591
INDOMETHACINAPH1BGamma-secretase subunit APH-1B4.7387328.1491945.052178mammalsactualclID_7591
INDOMETHACINNCSTNNicastrin4.7387328.1491945.052178mammalsactualclID_7591
INDOMETHACINPSENENGamma-secretase subunit PEN-24.7387328.148635.052178mammalsactualclID_7591
INDOMETHACINPSEN1Presenilin-14.7387328.1672035.052178mammalsactualclID_7591
INDOMETHACINPSEN2Presenilin-24.7387328.1484145.052178mammalsactualclID_7591
KNI-1038polPol polyprotein4.5691098.7538594.768861viruspredictedclID_939
KNI-1039polPol polyprotein4.8706748.7538595.08715viruspredictedclID_939
KURARINONEBACE1Beta-secretase 14.631557.4707565.189381mammalspredictedclID_3834
KUSHENOL ABACE1Beta-secretase 14.6621977.4707565.354024mammalspredictedclID_3834
LOPINAVIRpolPol polyprotein5.5180438.7538598.80835virusactualclID_2433
LOPINAVIRhumanRhinovirusProteasehumanRhinovirusProtease5.5180439.1450429.171299virusactualclID_2433
NELFINAVIRpolPol polyprotein68.7538598.158252virusactualclID_7128
NELFINAVIRhumanRhinovirusProteasehumanRhinovirusProtease69.1450427.937857virusactualclID_7128
NELFINAVIR MESYLATEpolPol polyprotein5.3052068.7538598.69897virusactualclID_7128
PENTAGALLOYL GLUCOSENS3Genome polyprotein5.6196928.8522825.79588viruspredictedclID_1684
PENTAGALLOYL GLUCOSEBACE1Beta-secretase 15.6196927.4707565.357347mammalspredictedclID_1684
PENTAGALLOYL GLUCOSEPOLGGenome polyprotein [Cleaved into: Core protein p215.6196928.8881577.479304viruspredictedclID_1684
PEPSTATINSAP3Candidapepsin-35.71246711.0302015.1fungiactualclID_769
PEPSTATINSAP4Candidapepsin-45.71246711.7259645.1fungiactualclID_769
PEPSTATINSAP5Candidapepsin-55.71246711.7259645.1fungiactualclID_769
PEPSTATINSAP6Candidapepsin-65.71246711.7259645.1fungiactualclID_769
PEPSTATINSAP8Candidapepsin-85.71246711.7259645.1fungiactualclID_769
PEPSTATINSAP9Candidapepsin-95.71246711.7259645.1fungiactualclID_769
PEPSTATINPOLGGenome polyprotein [Cleaved into: Core protein p215.7124678.8881576.30103virusactualclID_769
PEPSTATINpolPol polyprotein5.7124678.7538595.681255virusactualclID_769
PEPSTATINhumanRhinovirusProteasehumanRhinovirusProtease5.7124679.1450426.711111virusactualclID_769
PEPSTATINRENRenin5.7124678.2559795.310983mammalsactualclID_769
PHLOROFUCOFUROECKOL ABACE1Beta-secretase 15.17.4707565.778839mammalsactualclID_4622
PODOCARPUSFLAVONE BBACE1Beta-secretase 16.4671867.4707565.375718mammalspredictedclID_459
PUNICALAGINBACE1Beta-secretase 15.9450387.4707566.387216mammalspredictedclID_1684
QUERCETINBACE1Beta-secretase 14.8938397.4707565.10523mammalsactualclID_459
RITONAVIRSAP3Candidapepsin-34.84061311.0302015.1fungiactualclID_3116
RITONAVIRpolPol polyprotein4.8406138.7538598.058822virusactualclID_3116
RITONAVIRhumanRhinovirusProteasehumanRhinovirusProtease4.8406139.1450427.943779virusactualclID_3116
RUPINTRIVIRhumanRhinovirusProteasehumanRhinovirusProtease4.5880639.14568.213806viruspredictedclID_4807
RWJ-54003F2RProteinase-activated receptor 16.1127337.8666216.86815mammalspredictedclID_4747
RWJ-58259F2RProteinase-activated receptor 14.5533027.8666217.734767mammalspredictedclID_4747
SOPHORAFLAVANONE GBACE1Beta-secretase 15.0696957.4707565.361923mammalspredictedclID_3834
TAMOXIFENPSMB1Proteasome subunit beta type-14.7710748.2057375.753328mammalsactualclID_500
TAMOXIFENPsmb5Proteasome subunit beta type-54.7710748.3381849widespreadactualclID_500
TERLAKIRENRENRenin4.8916178.2559799.419445mammalspredictedclID_3261
THONNINGIANIN BNS3Genome polyprotein5.0402658.8522826.09691viruspredictedclID_1684
TOPSENTINOL K TRISULFATEBACE1Beta-secretase 14.7937467.4707565.920819mammalspredictedclID_3538
TRIFLUOPERAZINENS3Genome polyprotein5.2417258.8522826.154902viruspredictedclID_4249
VORAPAXARF2RProteinase-activated receptor 14.8462377.8666217.886995mammalsactualclID_1859
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with Sigma receptors and their selectivity profile. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
AMIODARONEEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.15958.4751167.60206mammalsactualclID_6596
AMIODARONEERG2C-8 sterol isomerase5.15958.7352317.207608fungiactualclID_6596
AMIODARONELMNAPrelamin-A/C [Cleaved into: Lamin-A/C5.15957.057379.045757mammalsactualclID_6596
AMIODARONESigmar1Sigma non-opioid intracellular receptor 15.15958.3209417.800148mammalsactualclID_6596
ASTEMIZOLEHTR2A5-hydroxytryptamine receptor 2A5.9586077.8185937.976363mammalsactualclID_1081
ASTEMIZOLEHtr2b5-hydroxytryptamine receptor 2B5.9586077.376318.023255mammalsactualclID_1081
ASTEMIZOLEGlra1Glycine receptor subunit alpha-15.9586075.6775867.188375mammalsactualclID_1081
ASTEMIZOLEHRH1Histamine H1 receptor5.9586077.2809888.034474mammalsactualclID_1081
ASTEMIZOLEKCNH2Potassium voltage-gated channel subfamily H member 25.9586077.9464838.065956mammalsactualclID_1081
ASTEMIZOLETMEM97Sigma intracellular receptor 25.9586078.1694577.021137mammalsactualclID_1081
ASTEMIZOLESLCO1B1Solute carrier organic anion transporter family member 1B15.9586077.59739mammalsactualclID_1081
CHLOROQUINECYP2B6Cytochrome P450 2B65.6843926.2937279mammalsactualclID_1740
CHLOROQUINEAbcc2Canalicular multispecific organic anion transporter 15.6843927.39389mammalsactualclID_1740
CHLOROQUINEQ9N6S8Cysteine proteinase falcipain 2a5.6843925.977197.69897protozoanactualclID_1740
CHLOROQUINESigmar1Sigma non-opioid intracellular receptor 15.6843928.3209417.100015mammalsactualclID_1740
CHLOROQUINETMEM97Sigma intracellular receptor 25.6843928.1694576.299998mammalsactualclID_1740
CHLORPROMAZINEHTR2A5-hydroxytryptamine receptor 2A6.9080687.8185938.500919mammalspredictedclID_302
CHLORPROMAZINEHtr2b5-hydroxytryptamine receptor 2B6.9080687.376318.199774mammalspredictedclID_302
CHLORPROMAZINEHtr2c5-hydroxytryptamine receptor 2C6.9080687.4390048.298354mammalspredictedclID_302
CHLORPROMAZINEHtr65-hydroxytryptamine receptor 66.9080686.4855237.467133mammalspredictedclID_302
CHLORPROMAZINEHtr75-hydroxytryptamine receptor 76.9080686.9879977.502758mammalspredictedclID_302
CHLORPROMAZINEHRH1Histamine H1 receptor6.9080687.2809888.014076mammalspredictedclID_302
CHLORPROMAZINESigmar1Sigma non-opioid intracellular receptor 16.9080688.3209416.534681mammalspredictedclID_302
CINANSERINHTR2A5-hydroxytryptamine receptor 2A5.301037.8185938.285963mammalsactualclID_3770
CINANSERINHtr2b5-hydroxytryptamine receptor 2B5.301037.376318.473198mammalsactualclID_3770
CINANSERINHtr2c5-hydroxytryptamine receptor 2C5.301037.4390048.342811mammalsactualclID_3770
CINANSERINSigmar1Sigma non-opioid intracellular receptor 15.301038.3209416.74mammalsactualclID_3770
CLEMASTINEHTR2A5-hydroxytryptamine receptor 2A5.752257.8185937.765626mammalsactualclID_1525
CLEMASTINEHtr2b5-hydroxytryptamine receptor 2B5.752257.376317.540985mammalsactualclID_1525
CLEMASTINEHtr2c5-hydroxytryptamine receptor 2C5.752257.4390047.144181mammalsactualclID_1525
CLEMASTINEHtr65-hydroxytryptamine receptor 65.752256.4855237.278603mammalsactualclID_1525
CLEMASTINEDrd3D(3) dopamine receptor5.752258.1662228.369113mammalsactualclID_1525
CLEMASTINEHRH1Histamine H1 receptor5.752257.2809889.842761mammalsactualclID_1525
CLEMASTINESigmar1Sigma non-opioid intracellular receptor 15.752258.3209417.774131mammalsactualclID_1525
CLEMASTINETMEM97Sigma intracellular receptor 25.752258.1694577.59998mammalsactualclID_1525
CLOMIPRAMINEHTR1A5-hydroxytryptamine receptor 1A4.5226277.9305817.634363mammalsactualclID_1362
CLOMIPRAMINEHTR1B5-hydroxytryptamine receptor 1B4.5226276.7267857.634363mammalsactualclID_1362
CLOMIPRAMINEHTR1D5-hydroxytryptamine receptor 1D4.5226276.7022077.634363mammalsactualclID_1362
CLOMIPRAMINEHTR1F5-hydroxytryptamine receptor 1F4.5226276.0281757.634363mammalsactualclID_1362
CLOMIPRAMINEHTR2A5-hydroxytryptamine receptor 2A4.5226277.8185938.17644mammalsactualclID_1362
CLOMIPRAMINEHtr2b5-hydroxytryptamine receptor 2B4.5226277.376318.099839mammalsactualclID_1362
CLOMIPRAMINEHtr2c5-hydroxytryptamine receptor 2C4.5226277.4390048.193181mammalsactualclID_1362
CLOMIPRAMINEHTR3A5-hydroxytryptamine receptor 3A4.5226276.1298188.30103mammalsactualclID_1362
CLOMIPRAMINEHTR3B5-hydroxytryptamine receptor 3B4.5226276.0209688.30103mammalsactualclID_1362
CLOMIPRAMINEHTR45-hydroxytryptamine receptor 44.5226275.9591688.30103mammalsactualclID_1362
CLOMIPRAMINEHtr5a5-hydroxytryptamine receptor 5A4.5226275.8455888.30103mammalsactualclID_1362
CLOMIPRAMINEHtr5b5-hydroxytryptamine receptor 5B4.5226274.667248.30103mammalsactualclID_1362
CLOMIPRAMINEHtr65-hydroxytryptamine receptor 64.5226276.4855238.042302mammalsactualclID_1362
CLOMIPRAMINEHtr75-hydroxytryptamine receptor 74.5226276.9879978.30103mammalsactualclID_1362
CLOMIPRAMINEHRH1Histamine H1 receptor4.5226277.2809888.259043mammalsactualclID_1362
CLOMIPRAMINEPGAM2,3-bisphosphoglycerate-independent phosphoglycerate mutase4.5226275.452837.320572protozoanactualclID_1362
CLOMIPRAMINESigmar1Sigma non-opioid intracellular receptor 14.5226278.3209416.054213mammalsactualclID_1362
DEXTROMETHORPHANSLC6A4Sodium-dependent serotonin transporter5.5274679.3989498.704334mammalsactualclID_2960
DEXTROMETHORPHANSigmar1Sigma non-opioid intracellular receptor 15.5274678.3209416.55152mammalsactualclID_2960
DEXTROMETHORPHANTSHRThyrotropin receptor5.5274676.419678.200659mammalsactualclID_2960
DOLUTEGRAVIRQ76353Integrase4.5847056.2825157.868064virusactualclID_687
DOLUTEGRAVIRSigmar1Sigma non-opioid intracellular receptor 14.5847058.3209416.906141mammalsactualclID_687
DOLUTEGRAVIRTMEM97Sigma intracellular receptor 24.5847058.1694577.49485mammalsactualclID_687
E-FLUPENTIXOLHRH2Histamine H2 receptor5.5384286.1579158.241845mammalspredictedclID_267
E-FLUPENTIXOLNFKB1Nuclear factor NF-kappa-B p105 subunit5.5384286.4684997.649752mammalspredictedclID_267
E-FLUPENTIXOLSigmar1Sigma non-opioid intracellular receptor 15.5384288.3209417.830032mammalspredictedclID_267
FLUNARIZINEHRH1Histamine H1 receptor4.5185937.2809887.273035mammalspredictedclID_355
FLUNARIZINELMNAPrelamin-A/C [Cleaved into: Lamin-A/C4.5185937.057378.49485mammalspredictedclID_355
FLUNARIZINESigmar1Sigma non-opioid intracellular receptor 14.5185938.3209417.80103mammalspredictedclID_355
FLUPENTIXOLDrd1D(1A) dopamine receptor4.7602687.4360398.290481mammalsactualclID_267
FLUPENTIXOLDrd3D(3) dopamine receptor4.7602688.1662228.522879mammalsactualclID_267
FLUPENTIXOLDRD4D(4) dopamine receptor4.7602687.4516268.522879mammalsactualclID_267
FLUPENTIXOLDRD5D(1B) dopamine receptor4.7602687.1171918.522879mammalsactualclID_267
FLUPENTIXOLHRH2Histamine H2 receptor4.7602686.1579159.065502mammalsactualclID_267
FLUPENTIXOLSigmar1Sigma non-opioid intracellular receptor 14.7602688.3209418.649946mammalsactualclID_267
HALOPERIDOLHTR2A5-hydroxytryptamine receptor 2A4.7991897.8185937.182611mammalsactualclID_1001
HALOPERIDOLHtr2b5-hydroxytryptamine receptor 2B4.7991897.376317.226378mammalsactualclID_1001
HALOPERIDOLDRD2D(2) dopamine receptor4.7991898.2803798.339276mammalsactualclID_1001
HALOPERIDOLDrd3D(3) dopamine receptor4.7991898.1662228.098005mammalsactualclID_1001
HALOPERIDOLDRD4D(4) dopamine receptor4.7991897.4516268.10952mammalsactualclID_1001
HALOPERIDOLDRD5D(1B) dopamine receptor4.7991897.1171918.044783mammalsactualclID_1001
HALOPERIDOLEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase4.7991898.4751166.721246mammalsactualclID_1001
HALOPERIDOLERG2C-8 sterol isomerase4.7991898.7352319.30103fungiactualclID_1001
HALOPERIDOLKCNH2Potassium voltage-gated channel subfamily H member 24.7991897.9464837.180601mammalsactualclID_1001
HALOPERIDOLAbcc2Canalicular multispecific organic anion transporter 14.7991897.39389mammalsactualclID_1001
HALOPERIDOLhumanRhinovirusProteasehumanRhinovirusProtease4.7991899.14567virusactualclID_1001
HALOPERIDOLpolPol polyprotein4.7991898.7538597virusactualclID_1001
HALOPERIDOLSigmar1Sigma non-opioid intracellular receptor 14.7991898.3209418.291093mammalsactualclID_1001
HALOPERIDOLTMEM97Sigma intracellular receptor 24.7991898.1694577.189326mammalsactualclID_1001
HALOPERIDOLSLCO1B3Solute carrier organic anion transporter family member 1B34.7991897.4840179mammalsactualclID_1001
HALOPERIDOLZNF664Zinc finger protein 6644.7991897.41958.180456mammalsactualclID_1001
HYDROXYCHLOROQUINESigmar1Sigma non-opioid intracellular receptor 15.927428.3209416.900009mammalsactualclID_1740
HYDROXYCHLOROQUINETMEM97Sigma intracellular receptor 25.927428.1694576mammalsactualclID_1740
LOPERAMIDEKCNH2Potassium voltage-gated channel subfamily H member 25.032927.9464837.481486mammalsactualclID_6355
LOPERAMIDEOprm1Mu-type opioid receptor5.032927.8606858.876082mammalsactualclID_6355
LOPERAMIDEScn1aSodium channel protein type 1 subunit alpha5.032927.1395467.784318mammalsactualclID_6355
LOPERAMIDEScn2aSodium channel protein type 2 subunit alpha5.032927.5675077.784318mammalsactualclID_6355
LOPERAMIDEScn3aSodium channel protein type 3 subunit alpha5.032927.207947.784318mammalsactualclID_6355
LOPERAMIDESigmar1Sigma non-opioid intracellular receptor 15.032928.3209416.390218mammalsactualclID_6355
NAFOXIDINEEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.0726868.4751169.045757mammalspredictedclID_5910
NAFOXIDINEERG2C-8 sterol isomerase5.0726868.7352316.634512fungipredictedclID_5910
NAFOXIDINEESR1Estrogen receptor5.0726868.6672117.388277mammalspredictedclID_5910
NAFOXIDINEEsr2Estrogen receptor beta5.0726868.4187447.388277mammalspredictedclID_5910
NAFOXIDINESigmar1Sigma non-opioid intracellular receptor 15.0726868.3209417.522879mammalspredictedclID_5910
RIMCAZOLESigmar1Sigma non-opioid intracellular receptor 15.2784368.3209416.111734mammalsactualclID_4588
RONIPAMILEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.4093238.4751168.69897mammalspredictedclID_3021
RONIPAMILERG2C-8 sterol isomerase5.4093238.7352317.886057fungipredictedclID_3021
RONIPAMILSigmar1Sigma non-opioid intracellular receptor 15.4093238.3209419mammalspredictedclID_3021
SIRAMESINESigmar1Sigma non-opioid intracellular receptor 198.3209417.681082mammalsactualclID_91
SIRAMESINETMEM97Sigma intracellular receptor 298.1694579.920819mammalsactualclID_91
TAMOXIFENEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase4.7710748.4751166.262845mammalsactualclID_500
TAMOXIFENEBPLEmopamil-binding protein-like4.7710748.8705538.552842mammalsactualclID_500
TAMOXIFENEsrraSteroid hormone receptor ERR14.7710746.0672216.69897mammalsactualclID_500
TAMOXIFENESRRGEstrogen-related receptor gamma4.7710747.3292317.20621mammalsactualclID_500
TAMOXIFENESR1Estrogen receptor4.7710748.6672116.081137mammalsactualclID_500
TAMOXIFENEsr2Estrogen receptor beta4.7710748.4187446.0265mammalsactualclID_500
TAMOXIFENPSMB2Proteasome subunit beta type-24.7710748.1266049mammalsactualclID_500
TAMOXIFENPsmb5Proteasome subunit beta type-54.7710748.3381849widespreadactualclID_500
TAMOXIFENSigmar1Sigma non-opioid intracellular receptor 14.7710748.3209417.731165mammalsactualclID_500
TERCONAZOLESigmar1Sigma non-opioid intracellular receptor 14.8908178.3209416.481861mammalsactualclID_6688
THIORIDAZINEHTR2A5-hydroxytryptamine receptor 2A5.1745747.8185937.770472mammalsactualclID_4843
THIORIDAZINEHtr2b5-hydroxytryptamine receptor 2B5.1745747.376317.359416mammalsactualclID_4843
THIORIDAZINEHtr2c5-hydroxytryptamine receptor 2C5.1745747.4390047.486819mammalsactualclID_4843
THIORIDAZINEHtr65-hydroxytryptamine receptor 65.1745746.4855237.315114mammalsactualclID_4843
THIORIDAZINEHtr75-hydroxytryptamine receptor 75.1745746.9879977.154902mammalsactualclID_4843
THIORIDAZINEHRH1Histamine H1 receptor5.1745747.2809887.407378mammalsactualclID_4843
THIORIDAZINESigmar1Sigma non-opioid intracellular receptor 15.1745748.3209416.460114mammalsactualclID_4843
TRIFLUOPERAZINEHTR2A5-hydroxytryptamine receptor 2A5.2417257.8185938.398967mammalspredictedclID_4249
TRIFLUOPERAZINEHtr2b5-hydroxytryptamine receptor 2B5.2417257.376318.632856mammalspredictedclID_4249
TRIFLUOPERAZINEHtr2c5-hydroxytryptamine receptor 2C5.2417257.4390048.257419mammalspredictedclID_4249
TRIFLUOPERAZINEEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.2417258.4751168.09691mammalspredictedclID_4249
TRIFLUOPERAZINEEBPLEmopamil-binding protein-like5.2417258.8705538.408935mammalspredictedclID_4249
TRIFLUOPERAZINEERG2C-8 sterol isomerase5.2417258.7352316.30103fungipredictedclID_4249
TRIFLUOPERAZINESigmar1Sigma non-opioid intracellular receptor 15.2417258.3209417.823909mammalspredictedclID_4249
TRIPARANOLEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase5.2773288.4751166.529304mammalsactualclID_3965
TRIPARANOLERG2C-8 sterol isomerase5.2773288.7352318.69897fungiactualclID_3965
TRIPARANOLSigmar1Sigma non-opioid intracellular receptor 15.2773288.3209418.09691mammalsactualclID_3965
VANOXERINEHRH2Histamine H2 receptor6.5273346.1579158.030118mammalspredictedclID_462
VANOXERINESigmar1Sigma non-opioid intracellular receptor 16.5273348.3209417.418757mammalspredictedclID_462
ZUCLOMIPHENEEbp3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase4.6358138.4751168.69897mammalspredictedclID_2790
ZUCLOMIPHENEERG2C-8 sterol isomerase4.6358138.7352318.69897fungipredictedclID_2790
ZUCLOMIPHENESigmar1Sigma non-opioid intracellular receptor 14.6358138.3209418.30103mammalspredictedclID_2790
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with nuclear receptors. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
4'-HYDROXYTAMOXIFENESR1Estrogen receptor4.5162568.6672116.120304mammalspredictedclID_500
4'-HYDROXYTAMOXIFENEsr2Estrogen receptor beta4.5162568.4187446.120304mammalspredictedclID_500
9-AMINOCAMPTOTHECINRORCNuclear receptor ROR-gamma5.6107997.5488637.074493mammalsactualclID_1835
ACOLBIFENEESR1Estrogen receptor4.5006128.6672119.825667mammalspredictedclID_6520
ACOLBIFENEEsr2Estrogen receptor beta4.5006128.41874410.121021mammalspredictedclID_6520
AFIMOXIFENEESR1Estrogen receptor6.4546518.6672117.240626mammalspredictedclID_500
AFIMOXIFENEEsr2Estrogen receptor beta6.4546518.4187448.080151mammalspredictedclID_500
AFIMOXIFENEPGRProgesterone receptor6.4546517.9463269.100015mammalspredictedclID_500
ATALURENRORCNuclear receptor ROR-gamma4.7109677.5488636.150028mammalsactualclID_9317
BAZEDOXIFENEESR1Estrogen receptor5.4634428.6672118.148237mammalsactualclID_2729
BAZEDOXIFENEEsr2Estrogen receptor beta5.4634428.4187447.745399mammalsactualclID_2729
BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDENR3C1Glucocorticoid receptor4.9466018.0726747.549751mammalsactualclID_7469
BRILANESTRANTESR1Estrogen receptor4.7380118.6672117.693773mammalsactualclID_5201
BRILANESTRANTEsr2Estrogen receptor beta4.7380118.4187448.055517mammalsactualclID_5201
CAFFEINENR3C1Glucocorticoid receptor4.7035878.0726747.74958mammalsactualclID_6550
CALYCULIN ARORCNuclear receptor ROR-gamma5.0302227.5488639.851865mammalspredictedclID_1087
CAMPTOTHECINRORCNuclear receptor ROR-gamma5.6541427.5488636.393808mammalsactualclID_1835
CHLORHEXIDINENR3C1Glucocorticoid receptor5.8557218.0726746.450016mammalsactualclID_1295
CORT 108297NR3C1Glucocorticoid receptor5.2984618.0726748.460247mammalspredictedclID_3793
CYCLOHEXIMIDERORCNuclear receptor ROR-gamma6.4215597.5488637.005708mammalsactualclID_525
DEMECLOCYCLINE HYDROCHLORIDEEsr2Estrogen receptor beta4.5540558.4187447.21169mammalsactualclID_1527
DIETHYLSTILBESTROLESR1Estrogen receptor4.6462018.6672118.978894mammalsactualclID_7593
DIETHYLSTILBESTROLEsr2Estrogen receptor beta4.6462018.4187448.994429mammalsactualclID_7593
DIGITOXINESR1Estrogen receptor6.6382728.6672116.300006mammalsactualclID_364
DIGITOXINNR3C1Glucocorticoid receptor6.6382728.0726746.450016mammalsactualclID_364
DIGOXINESR1Estrogen receptor6.7212468.6672116.216672mammalsactualclID_364
DIGOXINNR3C1Glucocorticoid receptor6.7212468.0726746.125016mammalsactualclID_364
DIPHENYLENEIODONIUMRORCNuclear receptor ROR-gamma5.0955817.5488636mammalsactualclID_5657
FURAZOLIDONERORCNuclear receptor ROR-gamma4.8551827.5488636.299989mammalsactualclID_8219
HEXACHLOROPHENEEsr2Estrogen receptor beta6.0995028.4187447.007579mammalsactualclID_842
HYDROCORTISONENR3C1Glucocorticoid receptor5.0509588.0726746.312103mammalsactualclID_1633
LASOFOXIFENEESR1Estrogen receptor5.0741848.6672117.741065mammalsactualclID_5892
LASOFOXIFENEEsr2Estrogen receptor beta5.0741848.4187447.637865mammalsactualclID_5892
LEVORMELOXIFENEESR1Estrogen receptor4.6447698.6672117.136677mammalspredictedclID_7365
LEVORMELOXIFENEEsr2Estrogen receptor beta4.6447698.4187447.136677mammalspredictedclID_7365
METHYLENE BLUENR3C1Glucocorticoid receptor6.7271698.0726746.400008mammalsactualclID_363
NAFOXIDINEESR1Estrogen receptor5.0726868.6672117.388277mammalspredictedclID_5910
NAFOXIDINEEsr2Estrogen receptor beta5.0726868.4187447.388277mammalspredictedclID_5910
NARAMYCIN BRORCNuclear receptor ROR-gamma6.0740237.5488637mammalspredictedclID_525
NELFINAVIR MESYLATENR3C1Glucocorticoid receptor5.3052068.0726746.676421mammalsactualclID_7128
NITROFURAZONEESR1Estrogen receptor5.8379948.6672116mammalsactualclID_1343
ONAPRISTONENR3C1Glucocorticoid receptor4.5150578.0726748.183708mammalspredictedclID_5285
ONAPRISTONEPGRProgesterone receptor4.5150577.9463267.521692mammalspredictedclID_5285
OUABAINESR1Estrogen receptor7.0132288.6672116.749975mammalsactualclID_364
OUABAINNR3C1Glucocorticoid receptor7.0132288.0726746.550059mammalsactualclID_364
PAPAVERINERORCNuclear receptor ROR-gamma5.7952337.5488636.72642mammalsactualclID_1423
PODOFILOXNR3C1Glucocorticoid receptor5.1539428.0726747.853872mammalsactualclID_5043
PROPYLPYRAZOLETRIOLESR1Estrogen receptor5.3905498.6672116.947734mammalsactualclID_3137
PROPYLPYRAZOLETRIOLEsr2Estrogen receptor beta5.3905498.4187446.112784mammalsactualclID_3137
Platinum complexESR1Estrogen receptor4.2238078.6672117.075771mammalspredictedplatinum complex
RESERPINENR3C1Glucocorticoid receptor5.2538418.0726748.49485mammalsactualclID_4255
RUBITECANRORCNuclear receptor ROR-gamma4.7781517.5488636.625046mammalsactualclID_1835
RUTINESR1Estrogen receptor4.8386988.6672117.49793mammalsactualclID_1263
TAMOXIFENESR1Estrogen receptor4.7710748.6672116.081137mammalsactualclID_500
TAMOXIFENEsr2Estrogen receptor beta4.7710748.4187446.0265mammalsactualclID_500
TAMOXIFENPGRProgesterone receptor4.7710747.9463266.890017mammalsactualclID_500
TANAPROGETPGRProgesterone receptor6.4069697.9463269.562469mammalsactualclID_533
THIMEROSALRORCNuclear receptor ROR-gamma5.7255077.5488636.074989mammalsactualorganomercury
TRIPTOLIDERORCNuclear receptor ROR-gamma5.9875827.5488636.450023mammalsactualclID_2585
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with heat shock proteins and selectivity profile. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
BUTOCONAZOLE NITRATEHSP90AA1Heat shock protein HSP 90-alpha4.9805498.5160226.709965mammalspredictedclID_3221
CLOTRIMAZOLECBX1Chromobox protein homolog 15.64896.2030488.075721mammalsactualclID_1854
CLOTRIMAZOLEcyp121Mycocyclosin synthase5.64896.609057.136677bacteriaactualclID_1854
CLOTRIMAZOLECYP17A1Steroid 17-alpha-hydroxylase/17,20 lyase5.64896.3661697.088842mammalsactualclID_1854
CLOTRIMAZOLECYP19A1Aromatase5.64895.8439488.744727mammalsactualclID_1854
CLOTRIMAZOLEHSP90AA1Heat shock protein HSP 90-alpha5.64898.5160226.709965mammalsactualclID_1854
CLOTRIMAZOLETBXAS1Thromboxane-A synthase5.64896.1125147.853872mammalsactualclID_1854
CYCLOHEXIMIDEHSP90AA1Heat shock protein HSP 90-alpha6.4215598.5160226.709965mammalsactualclID_525
CYCLOHEXIMIDERORCNuclear receptor ROR-gamma6.4215597.5488637.005708mammalsactualclID_525
CYCLOHEXIMIDETHRBThyroid hormone receptor beta6.4215595.7223627.349692mammalsactualclID_525
HEXACHLOROPHENEEsr2Estrogen receptor beta6.0995028.4187447.007579mammalsactualclID_842
HEXACHLOROPHENEHSP90AA1Heat shock protein HSP 90-alpha6.0995028.5160226.113509mammalsactualclID_842
HEXACHLOROPHENEMapk14Mitogen-activated protein kinase 146.0995028.004327.057496mammalsactualclID_842
KETOCONAZOLEGNRHRGonadotropin-releasing hormone receptor5.7773969.3286427.717881mammalsactualclID_6688
KETOCONAZOLEHSP90AA1Heat shock protein HSP 90-alpha5.7773968.5160226.361511mammalsactualclID_6688
KETOCONAZOLEKcnma1Calcium-activated potassium channel subunit alpha-15.7773965.675897.818086mammalsactualclID_6688
KETOCONAZOLEKCNMB1Calcium-activated potassium channel subunit beta-15.7773966.6486857.818086mammalsactualclID_6688
LUMINESPIBHSP90B1Endoplasmin7.7807957.226877.796447mammalsactualclID_176
LUMINESPIBHSP90AB1Heat shock protein HSP 90-beta7.7807958.3146656.356689mammalsactualclID_176
LUMINESPIBTRAP1Heat shock protein 75 kDa, mitochondrial7.7807958.0509577.162581mammalsactualclID_176
ONALESPIBHSP90AA1Heat shock protein HSP 90-alpha8.0930378.5160226.96826mammalsactualclID_146
ONALESPIBHSP90AB1Heat shock protein HSP 90-beta8.0930378.3146657.24229mammalsactualclID_146
PU-H71HSP90B1Endoplasmin5.1295027.226877.553953mammalsactualclID_5279
PU-H71HSP90AA1Heat shock protein HSP 90-alpha5.1295028.5160227.476617mammalsactualclID_5279
PU-H71phoQVirulence sensor histidine kinase PhoQ5.1295027.8286439bacteriaactualclID_5279
SERTACONAZOLE NITRATEHSP90AA1Heat shock protein HSP 90-alpha5.9049018.5160226.632644mammalsactualclID_1770
TANESPIMYCINHSP90B1Endoplasmin4.5826917.226877.207608mammalsactualclID_2407
TANESPIMYCINERBB2Receptor tyrosine-protein kinase erbB-24.5826918.2004757.508638mammalsactualclID_2407
TANESPIMYCINGMNNGeminin4.5826917.3136467.175224mammalsactualclID_2407
TANESPIMYCINHSP90AA1Heat shock protein HSP 90-alpha4.5826918.5160226.463329mammalsactualclID_2407
TANESPIMYCINHSP90AB1Heat shock protein HSP 90-beta4.5826918.3146656.178516mammalsactualclID_2407
TANESPIMYCINPmp22Peripheral myelin protein 224.5826917.3579577.142065mammalsactualclID_2407
WORTMANNINHSP90AA1Heat shock protein HSP 90-alpha4.7583948.5160226.440093mammalsactualclID_1672
WORTMANNINPRKCAProtein kinase C alpha type4.7583947.5564847.163679mammalsactualclID_1672
WORTMANNINRPS6KB1Ribosomal protein S6 kinase beta-14.7583946.848677.639377mammalsactualclID_1672
WORTMANNINMAPKAPK2MAP kinase-activated protein kinase 24.7583946.4424019mammalsactualclID_1672
WORTMANNINMapk3Mitogen-activated protein kinase 34.7583946.7023529mammalsactualclID_1672
WORTMANNINMapk14Mitogen-activated protein kinase 144.7583948.004327.394185mammalsactualclID_1672
WORTMANNINMTORSerine/threonine-protein kinase mTOR4.7583947.181557.144717mammalsactualclID_1672
WORTMANNINNEK6Serine/threonine-protein kinase Nek64.7583946.7927919mammalsactualclID_1672
WORTMANNINNEK7Serine/threonine-protein kinase Nek74.7583946.8058899mammalsactualclID_1672
WORTMANNINPik3r1Phosphatidylinositol 3-kinase regulatory subunit alpha4.7583948.1654867.546149mammalsactualclID_1672
WORTMANNINPIK3CAPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform4.7583948.4142277.609936mammalsactualclID_1672
WORTMANNINPIK3CBPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform4.7583947.6743337.949242mammalsactualclID_1672
WORTMANNINPIK3CDPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform4.7583947.9061798.187273mammalsactualclID_1672
WORTMANNINPIK3CGPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform4.7583947.4470558.032971mammalsactualclID_1672
WORTMANNINSGK1Serine/threonine-protein kinase Sgk14.7583946.4436427.394185mammalsactualclID_1672
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with BCL2 proteins and selectivity. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
ABT 737Bcl2l1Bcl-2-like protein 15.23225711.6930248.107546mammalsactualclID_305
ABT 737BCL2L2Bcl-2-like protein 25.2322579.0982998.429733mammalsactualclID_305
ABT 737BCL2L10Bcl-2-like protein 105.2322576.9502948.2mammalsactualclID_305
ABT 737BCL2L11Bcl-2-like protein 115.2322576.9057438.69897mammalsactualclID_305
ABT 737Bcl2a1Bcl-2-related protein A15.2322576.2144885.2mammalsactualclID_305
ABT 737BADBcl2-associated agonist of cell death5.2322577.8780429.110924mammalsactualclID_305
ABT 737BAK1Bcl-2 homologous antagonist/killer5.2322578.4248928.23299mammalsactualclID_305
ABT 737BAXApoptosis regulator BAX5.2322576.3627867.638272mammalsactualclID_305
ABT 737BBC3Bcl-2-binding component 3, isoforms 1/25.23225710.7655449.522879mammalsactualclID_305
ABT 737BCL2Apoptosis regulator Bcl-25.23225712.2523437.952957mammalsactualclID_305
ABT 737BIDBH3-interacting domain death agonist5.2322576.8111855.998097mammalsactualclID_305
ABT 737Csn2Beta-casein5.2322577.4175258.2mammalsactualclID_305
ABT 737Mcl1Induced myeloid leukemia cell differentiation protein Mcl-1 homolog5.2322577.5787315.360646mammalsactualclID_305
ALEXIDINE DIHYDROCHLORIDEBcl2l1Bcl-2-like protein 15.70546511.6930244.737549mammalsactualclID_1681
ALEXIDINE DIHYDROCHLORIDEBAK1Bcl-2 homologous antagonist/killer5.7054658.4248924.737549mammalsactualclID_1681
ALEXIDINE DIHYDROCHLORIDEGALCGalactocerebrosidase5.7054654.472788mammalsactualclID_1681
ALEXIDINE DIHYDROCHLORIDECBFBCore-binding factor subunit beta5.7054656.5583975.950007mammalsactualclID_1681
ALEXIDINE DIHYDROCHLORIDERUNX1Runt-related transcription factor 15.7054656.5664835.950007mammalsactualclID_1681
ALEXIDINE HYDROCHLORIDEBcl2a1Bcl-2-related protein A17.6637916.2144885.225483mammalspredictedclID_181
ALEXIDINE HYDROCHLORIDEPoliDNA polymerase iota7.6637916.5794915.05mammalspredictedclID_181
ALEXIDINE HYDROCHLORIDESLCO1B1Solute carrier organic anion transporter family member 1B17.6637917.59735.366943mammalspredictedclID_181
ALEXIDINE HYDROCHLORIDESLCO1B3Solute carrier organic anion transporter family member 1B37.6637917.4840179mammalspredictedclID_181
ALEXIDINE HYDROCHLORIDEUSP2Ubiquitin carboxyl-terminal hydrolase 27.6637916.3883075.116502mammalspredictedclID_181
GOSSYPOLMPGDNA-3-methyladenine glycosylase5.2946615.5282145.522879mammalsactualclID_3821
GOSSYPOLAkr1b1Aldo-keto reductase family 1 member B15.2946614.9894366.30103mammalsactualclID_3821
GOSSYPOLATAD5ATPase family AAA domain-containing protein 55.2946617.2076995.086393mammalsactualclID_3821
GOSSYPOLBcl2l1Bcl-2-like protein 15.29466111.6930246.274247mammalsactualclID_3821
GOSSYPOLBCL2L2Bcl-2-like protein 25.2946619.0982994.752027mammalsactualclID_3821
GOSSYPOLBCL2Apoptosis regulator Bcl-25.29466112.2523436.344437mammalsactualclID_3821
GOSSYPOLCYP2C19Cytochrome P450 2C195.2946616.6463065.199999mammalsactualclID_3821
GOSSYPOLHSD17B1Estradiol 17-beta-dehydrogenase 15.2946615.7869595.176091mammalsactualclID_3821
GOSSYPOLHSD17B2Estradiol 17-beta-dehydrogenase 25.2946615.2373175.265032mammalsactualclID_3821
GOSSYPOLPOLBDNA polymerase beta5.2946616.2193446.250032mammalsactualclID_3821
GOSSYPOLESR1Estrogen receptor5.2946618.6672115.496614mammalsactualclID_3821
GOSSYPOLFEN1Flap endonuclease 15.2946616.1628915.149214mammalsactualclID_3821
GOSSYPOLHSD17B103-hydroxyacyl-CoA dehydrogenase type-25.2946616.3034085.174999mammalsactualclID_3821
GOSSYPOLKDM4ELysine-specific demethylase 4E5.2946616.672285.2mammalsactualclID_3821
GOSSYPOLLDHAL-lactate dehydrogenase A chain5.2946614.9028785.721246mammalsactualclID_3821
GOSSYPOLLDHBL-lactate dehydrogenase B chain5.2946615.3154785.853872mammalsactualclID_3821
GOSSYPOLlefLethal factor5.2946616.3633226.59998bacteriaactualclID_3821
GOSSYPOLLMNAPrelamin-A/C [Cleaved into: Lamin-A/C5.2946617.057375.650004mammalsactualclID_3821
GOSSYPOLALOX12Arachidonate 12-lipoxygenase, 12S-type5.2946616.7037685.862502mammalsactualclID_3821
GOSSYPOLALOX15BArachidonate 15-lipoxygenase B5.2946616.9062585.250001mammalsactualclID_3821
GOSSYPOLGAALysosomal alpha-glucosidase5.2946616.3493465.05mammalsactualclID_3821
GOSSYPOLMcl1Induced myeloid leukemia cell differentiation protein Mcl-1 homolog5.2946617.5787316.254999mammalsactualclID_3821
GOSSYPOLMDH1Malate dehydrogenase, cytoplasmic5.2946616.1612785.236572mammalsactualclID_3821
GOSSYPOLMDH2Malate dehydrogenase, mitochondrial5.2946615.9538225.552842mammalsactualclID_3821
GOSSYPOLMTORSerine/threonine-protein kinase mTOR5.2946617.181555.082999mammalsactualclID_3821
GOSSYPOLCBFBCore-binding factor subunit beta5.2946616.5583975.199998mammalsactualclID_3821
GOSSYPOLPIN1Peptidyl-prolyl cis-trans isomerase NIMA-interacting 15.2946616.4265815.520984mammalsactualclID_3821
GOSSYPOLPoliDNA polymerase iota5.2946616.5794915.599998mammalsactualclID_3821
GOSSYPOLPOLKDNA polymerase kappa5.2946616.3641275.38294mammalsactualclID_3821
GOSSYPOLPpargPeroxisome proliferator-activated receptor gamma5.2946616.6260455.099999mammalsactualclID_3821
GOSSYPOLLDHLactate dehydrogenase5.2946616.8263365.578396protozoanactualclID_3821
GOSSYPOLPGAM2,3-bisphosphoglycerate-independent phosphoglycerate mutase5.2946615.452837.821023protozoanactualclID_3821
GOSSYPOLQ6VVP7Malate dehydrogenase5.2946617.0744085.692504protozoanactualclID_3821
GOSSYPOLreverseReverse transcriptase5.2946617.6824665.472076virusactualclID_3821
GOSSYPOLRGS4Regulator of G-protein signaling 45.2946616.4512435.374235mammalsactualclID_3821
GOSSYPOLRUNX1Runt-related transcription factor 15.2946616.5664835.199998mammalsactualclID_3821
GOSSYPOLSMAD3Mothers against decapentaplegic homolog 35.2946616.5181095.950007mammalsactualclID_3821
GOSSYPOLSLCO1B1Solute carrier organic anion transporter family member 1B15.2946617.59735.525519mammalsactualclID_3821
GOSSYPOLSLCO1B3Solute carrier organic anion transporter family member 1B35.2946617.4840175.315068mammalsactualclID_3821
GOSSYPOLSNCAAlpha-synuclein5.2946616.3236015.168105mammalsactualclID_3821
GOSSYPOLTDP1Tyrosyl-DNA phosphodiesterase 15.2946617.0136565.322243mammalsactualclID_3821
GOSSYPOLUSP2Ubiquitin carboxyl-terminal hydrolase 25.2946616.3883075.227665mammalsactualclID_3821
NAVITOCLAXBcl2l1Bcl-2-like protein 14.73490611.6930248.593359mammalspredictedclID_1535
NAVITOCLAXBCL2L11Bcl-2-like protein 114.7349066.9057438.366532mammalspredictedclID_1535
NAVITOCLAXBADBcl2-associated agonist of cell death4.7349067.8780429.150515mammalspredictedclID_1535
NAVITOCLAXBCL2Apoptosis regulator Bcl-24.73490612.2523438.408452mammalspredictedclID_1535
NAVITOCLAXMcl1Induced myeloid leukemia cell differentiation protein Mcl-1 homolog4.7349067.5787316.280334mammalspredictedclID_1535
NAVITOCLAXSMAD3Mothers against decapentaplegic homolog 34.7349066.5181095.499997mammalspredictedclID_1535
NAVITOCLAXTDP1Tyrosyl-DNA phosphodiesterase 14.7349067.0136566.425011mammalspredictedclID_1535
THONZONIUMGMNNGeminin4.9357217.3136465.094075mammalsactualclID_4368
THONZONIUMLMNAPrelamin-A/C [Cleaved into: Lamin-A/C4.9357217.057375.149997mammalsactualclID_4368
THONZONIUM BROMIDEBcl2a1Bcl-2-related protein A15.5106636.2144885.191114mammalsactualclID_4368
THONZONIUM BROMIDETDP1Tyrosyl-DNA phosphodiesterase 15.5106637.0136565.365142mammalsactualclID_4368
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with proteins participating in pathways involved in SARS therapeutics as recorded in Reactome DB. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
18-OXOFERRUGINOLJAK3Tyrosine-protein kinase JAK35.3783676.7826966.2mammalsactualclID_3387
5-METHOXYISATINrepReplicase polyprotein 1ab6.30893812.6499266.308938virusactualclID_286
5-NITROISATINrepReplicase polyprotein 1ab6.19190612.6499266.191906virusactualclID_286
ABEMACICLIBGSK3AGlycogen synthase kinase-3 alpha5.1791425.8783937.886057mammalsactualclID_4805
ABEMACICLIBGsk3bGlycogen synthase kinase-3 beta5.1791426.1111737.886057mammalsactualclID_4805
AMENTOFLAVONEVEGFAVascular endothelial growth factor A5.0809226.35277.782516mammalsactualclID_459
AMIODARONESigmar1Sigma non-opioid intracellular receptor 15.15958.3209417.800148mammalsactualclID_6596
APABETALONEBRD4Bromodomain-containing protein 44.935617.5759576.0655mammalsactualclID_10703
APICIDINHdac2Histone deacetylase 24.5597866.797467.914313mammalsactualclID_1175
APITOLISIBJAK1Tyrosine-protein kinase JAK196.9198037.585027mammalsactualclID_1863
AZD-5438GSK3AGlycogen synthase kinase-3 alpha5.3109045.8783936.179819mammalsactualclID_3693
AZD-5438Gsk3bGlycogen synthase kinase-3 beta5.3109046.1111736.153804mammalsactualclID_3693
BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDENR3C1Glucocorticoid receptor4.9466018.0726747.549751mammalsactualclID_7469
CAFFEINENR3C1Glucocorticoid receptor4.7035878.0726747.74958mammalsactualclID_6550
CAPTOPRILAce2Angiotensin-converting enzyme 25.5584655.1646377.209829mammalsactualclID_2251
CGP-53353JAK2Tyrosine-protein kinase JAK25.7927157.0730327.21598mammalsactualclID_670
CGP-53353JAK3Tyrosine-protein kinase JAK35.7927156.7826967.163679mammalsactualclID_670
CGP-53353ROCK1Rho-associated protein kinase 15.7927155.9917389mammalsactualclID_670
CGP-53353ROCK2Rho-associated protein kinase 25.7927156.4798147.274836mammalsactualclID_670
CHLORHEXIDINENR3C1Glucocorticoid receptor5.8557218.0726746.450016mammalsactualclID_1295
CHLOROQUINESigmar1Sigma non-opioid intracellular receptor 15.6843928.3209417.100015mammalsactualclID_1740
CHLORPROMAZINESigmar1Sigma non-opioid intracellular receptor 16.9080688.3209416.534681mammalspredictedclID_302
CINALUKASTCYSLTR1Cysteinyl leukotriene receptor 14.9368298.1218528.19382mammalsactualclID_7693
CINANSERINSigmar1Sigma non-opioid intracellular receptor 15.301038.3209416.74mammalsactualclID_3770
CITRIC ACIDHdac2Histone deacetylase 24.9310636.797469mammalsactualclID_8565
CLEMASTINESigmar1Sigma non-opioid intracellular receptor 15.752258.3209417.774131mammalsactualclID_1525
CLOMIPRAMINESigmar1Sigma non-opioid intracellular receptor 14.5226278.3209416.054213mammalsactualclID_1362
CORT 108297NR3C1Glucocorticoid receptor5.2984618.0726748.460247mammalspredictedclID_3793
CYC-116JAK2Tyrosine-protein kinase JAK25.0780357.0730327.199971mammalsactualclID_5848
CYC-116JAK3Tyrosine-protein kinase JAK35.0780356.7826966.199998mammalsactualclID_5848
CYC-116ROCK1Rho-associated protein kinase 15.0780355.9917386.299998mammalsactualclID_5848
CYC-116ROCK2Rho-associated protein kinase 25.0780356.4798146.025671mammalsactualclID_5848
CYC-116TBK1Serine/threonine-protein kinase TBK15.0780356.9670716.567382mammalsactualclID_5848
CYC-116TYK2Non-receptor tyrosine-protein kinase TYK25.0780356.1893626.545495mammalsactualclID_5848
CYCLOSPORINEFKBP1APeptidyl-prolyl cis-trans isomerase FKBP1A5.4686067.1671587.69897mammalsactualclID_769
DEXTROMETHORPHANSigmar1Sigma non-opioid intracellular receptor 15.5274678.3209416.55152mammalsactualclID_2960
DIGITOXIGENINATP1A1Sodium/potassium-transporting ATPase subunit alpha-15.1766347.2585877.11674mammalsactualclID_364
DIGITOXINATP1A1Sodium/potassium-transporting ATPase subunit alpha-16.6382727.2585878.09691mammalsactualclID_364
DIGITOXINNR3C1Glucocorticoid receptor6.6382728.0726746.450016mammalsactualclID_364
DIGOXINATP1A1Sodium/potassium-transporting ATPase subunit alpha-16.7212467.2585876.061936mammalsactualclID_364
DIGOXINNR3C1Glucocorticoid receptor6.7212468.0726746.125016mammalsactualclID_364
DOLUTEGRAVIRSigmar1Sigma non-opioid intracellular receptor 14.5847058.3209416.906141mammalsactualclID_687
DOVITINIBJAK1Tyrosine-protein kinase JAK14.650486.9198036.428043mammalsactualclID_9575
DOVITINIBJAK2Tyrosine-protein kinase JAK24.650487.0730326.013653mammalsactualclID_9575
DOVITINIBRIPK1Receptor-interacting serine/threonine-protein kinase 14.650486.2035986.49485mammalsactualclID_9575
DOVITINIBTBK1Serine/threonine-protein kinase TBK14.650486.9670716.013057mammalsactualclID_9575
DOVITINIBTYK2Non-receptor tyrosine-protein kinase TYK24.650486.1893626.393826mammalsactualclID_9575
E-FLUPENTIXOLSigmar1Sigma non-opioid intracellular receptor 15.5384288.3209417.830032mammalspredictedclID_267
ENTRECTINIBJAK1Tyrosine-protein kinase JAK15.3673576.9198036.950782mammalsactualclID_3315
ENTRECTINIBJAK2Tyrosine-protein kinase JAK25.3673577.0730327.548999mammalsactualclID_3315
ENTRECTINIBJAK3Tyrosine-protein kinase JAK35.3673576.7826966.378586mammalsactualclID_3315
FERRUGINOLrepReplicase polyprotein 1ab5.35669512.6499266.103757virusactualclID_3387
FIMEPINOSTATHdac2Histone deacetylase 24.7710956.797467.946298mammalsactualclID_11717
FLUNARIZINESigmar1Sigma non-opioid intracellular receptor 14.5185938.3209417.80103mammalspredictedclID_355
FLUPENTIXOLSigmar1Sigma non-opioid intracellular receptor 14.7602688.3209418.649946mammalsactualclID_267
GW632580XGSK3AGlycogen synthase kinase-3 alpha4.8612475.8783937.533333mammalsactualclID_780
GW632580XGsk3bGlycogen synthase kinase-3 beta4.8612476.1111736.400687mammalsactualclID_780
GW632580XJAK2Tyrosine-protein kinase JAK24.8612477.0730327.6mammalsactualclID_780
GW632580XJAK3Tyrosine-protein kinase JAK34.8612476.7826967.597488mammalsactualclID_780
GW632580XROCK1Rho-associated protein kinase 14.8612475.9917387.533333mammalsactualclID_780
HALOPERIDOLSigmar1Sigma non-opioid intracellular receptor 14.7991898.3209418.291093mammalsactualclID_1001
HERBIMYCINGSK3AGlycogen synthase kinase-3 alpha5.1225795.8783939mammalspredictedclID_2407
HERBIMYCINGsk3bGlycogen synthase kinase-3 beta5.1225796.1111737.530349mammalspredictedclID_2407
HERBIMYCINJAK2Tyrosine-protein kinase JAK25.1225797.0730327.754825mammalspredictedclID_2407
HERBIMYCINROCK1Rho-associated protein kinase 15.1225795.9917389mammalspredictedclID_2407
HERBIMYCINROCK2Rho-associated protein kinase 25.1225796.4798147.30103mammalspredictedclID_2407
HYDROCORTISONENR3C1Glucocorticoid receptor5.0509588.0726746.312103mammalsactualclID_1633
HYDROXYCHLOROQUINESigmar1Sigma non-opioid intracellular receptor 15.927428.3209416.900009mammalsactualclID_1740
HYDROXYCHLOROQUINETlr7Toll-like receptor 75.927425.5318996.09691mammalsactualclID_1740
HYDROXYCHLOROQUINETlr9Toll-like receptor 95.927426.0196856.958607mammalsactualclID_1740
IMATINIBJAK3Tyrosine-protein kinase JAK34.7049326.7826966.8mammalsactualclID_2757
KENPAULLONEGSK3AGlycogen synthase kinase-3 alpha4.7714685.8783937.11914mammalsactualclID_253
KENPAULLONEGsk3bGlycogen synthase kinase-3 beta4.7714686.1111737.019753mammalsactualclID_253
KENPAULLONEJAK2Tyrosine-protein kinase JAK24.7714687.0730326.462954mammalsactualclID_253
KENPAULLONEJAK3Tyrosine-protein kinase JAK34.7714686.7826966.462954mammalsactualclID_253
KENPAULLONEROCK1Rho-associated protein kinase 14.7714685.9917387.9mammalsactualclID_253
LOPERAMIDESigmar1Sigma non-opioid intracellular receptor 15.032928.3209416.390218mammalsactualclID_6355
METHYLENE BLUENR3C1Glucocorticoid receptor6.7271698.0726746.400008mammalsactualclID_363
MIDOSTAURINJAK1Tyrosine-protein kinase JAK15.1984966.9198036.173925mammalsactualclID_3146
MIDOSTAURINJAK2Tyrosine-protein kinase JAK25.1984967.0730327.026872mammalsactualclID_3146
MIDOSTAURINJAK3Tyrosine-protein kinase JAK35.1984966.7826967.920819mammalsactualclID_3146
MIDOSTAURINROCK1Rho-associated protein kinase 15.1984965.9917387.053953mammalsactualclID_3146
MIDOSTAURINTBK1Serine/threonine-protein kinase TBK15.1984966.9670717.596292mammalsactualclID_3146
MIDOSTAURINTYK2Non-receptor tyrosine-protein kinase TYK25.1984966.1893626.60206mammalsactualclID_3146
MYCOPHENOLIC ACIDIMPDH1Inosine-5'-monophosphate dehydrogenase 14.5824745.2938957.013849mammalsactualclID_7897
MYCOPHENOLIC ACIDIMPDH2Inosine-5'-monophosphate dehydrogenase 24.5824745.4523977.467011mammalsactualclID_7897
NAFOXIDINESigmar1Sigma non-opioid intracellular receptor 15.0726868.3209417.522879mammalspredictedclID_5910
NELFINAVIR MESYLATENR3C1Glucocorticoid receptor5.3052068.0726746.676421mammalsactualclID_7128
ONAPRISTONENR3C1Glucocorticoid receptor4.5150578.0726748.183708mammalspredictedclID_5285
ORVEPITANTSigmar1Sigma non-opioid intracellular receptor 14.5725568.3209416.026872mammalspredictedclID_1663
OUABAINNR3C1Glucocorticoid receptor7.0132288.0726746.550059mammalsactualclID_364
PAZOPANIBRIPK1Receptor-interacting serine/threonine-protein kinase 14.9697866.2035986.585027mammalsactualclID_7154
PD-0166285JAK2Tyrosine-protein kinase JAK25.4651597.0730327.400008mammalsactualclID_1477
PD-0166285JAK3Tyrosine-protein kinase JAK35.4651596.7826966.399997mammalsactualclID_1477
PELITINIBJAK3Tyrosine-protein kinase JAK35.7007446.7826967.60206mammalsactualclID_730
PICTILISIBJAK1Tyrosine-protein kinase JAK15.5647516.9198036.366532mammalsactualclID_2221
PODOFILOXNR3C1Glucocorticoid receptor5.1539428.0726747.853872mammalsactualclID_5043
RAF-265TYK2Non-receptor tyrosine-protein kinase TYK26.1382796.1893626.387216mammalsactualclID_781
RESERPINENR3C1Glucocorticoid receptor5.2538418.0726748.49485mammalsactualclID_4255
RG-547GSK3AGlycogen synthase kinase-3 alpha5.652395.8783936.552842mammalsactualclID_1847
RG-547ROCK2Rho-associated protein kinase 25.652396.4798146.136677mammalsactualclID_1847
RGB-286638GSK3AGlycogen synthase kinase-3 alpha5.3712915.8783938.154902mammalsactualclID_3282
RGB-286638Gsk3bGlycogen synthase kinase-3 beta5.3712916.1111738.09691mammalsactualclID_3282
RGB-286638JAK1Tyrosine-protein kinase JAK15.3712916.9198036.856985mammalsactualclID_3282
RIMCAZOLESigmar1Sigma non-opioid intracellular receptor 15.2784368.3209416.111734mammalsactualclID_4588
RONIPAMILSigmar1Sigma non-opioid intracellular receptor 15.4093238.3209419mammalspredictedclID_3021
RUXOLITINIBJAK1Tyrosine-protein kinase JAK15.3198686.9198037.587198mammalsactualclID_3626
RUXOLITINIBJAK2Tyrosine-protein kinase JAK25.3198687.0730327.595015mammalsactualclID_3626
RUXOLITINIBJAK3Tyrosine-protein kinase JAK35.3198686.7826966.784478mammalsactualclID_3626
RUXOLITINIBROCK1Rho-associated protein kinase 15.3198685.9917386.654282mammalsactualclID_3626
RUXOLITINIBROCK2Rho-associated protein kinase 25.3198686.4798146.254849mammalsactualclID_3626
RUXOLITINIBTYK2Non-receptor tyrosine-protein kinase TYK25.3198686.1893627.292321mammalsactualclID_3626
RUXOLITINIB PHOSPHATEJAK1Tyrosine-protein kinase JAK17.6599346.9198038mammalspredictedclID_3626
RUXOLITINIB PHOSPHATEJAK2Tyrosine-protein kinase JAK27.6599347.0730327.552842mammalspredictedclID_3626
RUXOLITINIB PHOSPHATEJAK3Tyrosine-protein kinase JAK37.6599346.7826966.091515mammalspredictedclID_3626
RUXOLITINIB PHOSPHATETYK2Non-receptor tyrosine-protein kinase TYK27.6599346.1893626.935542mammalspredictedclID_3626
SALICYLIC ACIDHdac2Histone deacetylase 25.395426.797466.060698mammalsactualclID_3107
SILMITASERTIBTBK1Serine/threonine-protein kinase TBK15.3589966.9670717.455932mammalsactualclID_3377
SIRAMESINESigmar1Sigma non-opioid intracellular receptor 198.3209417.681082mammalsactualclID_91
SIROLIMUSFKBP1APeptidyl-prolyl cis-trans isomerase FKBP1A5.5128847.1671586.59157mammalsactualclID_265
SIROLIMUSGSK3AGlycogen synthase kinase-3 alpha5.5128845.8783939mammalsactualclID_265
SIROLIMUSGsk3bGlycogen synthase kinase-3 beta5.5128846.1111736.744209mammalsactualclID_265
SIROLIMUSJAK2Tyrosine-protein kinase JAK25.5128847.0730329mammalsactualclID_265
SIROLIMUSJAK3Tyrosine-protein kinase JAK35.5128846.7826969mammalsactualclID_265
SIROLIMUSROCK1Rho-associated protein kinase 15.5128845.9917389mammalsactualclID_265
SIROLIMUSROCK2Rho-associated protein kinase 25.5128846.4798147.029258mammalsactualclID_265
SNS-314ROCK2Rho-associated protein kinase 25.642266.4798146.199998mammalsactualclID_1882
TAMOXIFENSigmar1Sigma non-opioid intracellular receptor 14.7710748.3209417.731165mammalsactualclID_500
TERCONAZOLESigmar1Sigma non-opioid intracellular receptor 14.8908178.3209416.481861mammalsactualclID_6688
THIORIDAZINESigmar1Sigma non-opioid intracellular receptor 15.1745748.3209416.460114mammalsactualclID_4843
TRAPOXIN BHdac2Histone deacetylase 24.7858636.797468.25mammalspredictedclID_939
TRIFLUOPERAZINESigmar1Sigma non-opioid intracellular receptor 15.2417258.3209417.823909mammalspredictedclID_4249
TRIPARANOLSigmar1Sigma non-opioid intracellular receptor 15.2773288.3209418.09691mammalsactualclID_3965
TYRPHOSTIN AG-1478GSK3AGlycogen synthase kinase-3 alpha5.4524545.8783939mammalsactualclID_681
TYRPHOSTIN AG-1478JAK2Tyrosine-protein kinase JAK25.4524547.0730327.394185mammalsactualclID_681
TYRPHOSTIN AG-1478JAK3Tyrosine-protein kinase JAK35.4524546.7826969mammalsactualclID_681
TYRPHOSTIN AG-1478ROCK1Rho-associated protein kinase 15.4524545.9917387.502399mammalsactualclID_681
TYRPHOSTIN AG-1478ROCK2Rho-associated protein kinase 25.4524546.4798147.412788mammalsactualclID_681
VANDETANIBROCK2Rho-associated protein kinase 25.0215456.4798146.221849mammalsactualclID_1562
VANOXERINESigmar1Sigma non-opioid intracellular receptor 16.5273348.3209417.418757mammalspredictedclID_462
VINBLASTINE SULFATETUBBTubulin beta chain4.7111617.5449266.886057mammalsactualclID_440
VS-5584JAK2Tyrosine-protein kinase JAK26.1856867.0730327.585027mammalspredictedclID_720
VS-5584JAK3Tyrosine-protein kinase JAK36.1856866.7826968.522879mammalspredictedclID_720
WORTMANNINROCK2Rho-associated protein kinase 24.7583946.4798146.500217mammalsactualclID_1672
ZAFIRLUKASTCYSLTR1Cysteinyl leukotriene receptor 14.5116048.1218528.869426mammalsactualclID_3257
ZOTIRACICLIBGSK3AGlycogen synthase kinase-3 alpha5.1142665.8783936.237321mammalsactualclID_5424
ZOTIRACICLIBGsk3bGlycogen synthase kinase-3 beta5.1142666.1111736.349692mammalsactualclID_5424
ZOTIRACICLIBJAK2Tyrosine-protein kinase JAK25.1142667.0730327.014302mammalsactualclID_5424
ZUCLOMIPHENESigmar1Sigma non-opioid intracellular receptor 14.6358138.3209418.30103mammalspredictedclID_2790
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with different cholinesterase enzymes alongside with their selectivity. Size by predicted sarsScore.

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
BIS(20)-HUPERZINE BacheAcetylcholinesterase5.0561927.6883677.598599widespreadpredictedclID_2339
CAFFEINEacheAcetylcholinesterase4.7035877.6883675.139662widespreadactualclID_6550
CAFFEINEChrm1Muscarinic acetylcholine receptor M14.7035876.5345997.449772mammalsactualclID_6550
CAFFEINEARAndrogen receptor4.7035876.8225478.30103mammalsactualclID_6550
CAFFEINENR3C1Glucocorticoid receptor4.7035878.0726747.74958mammalsactualclID_6550
CAFFEINEGMNNGeminin4.7035877.3136466.6362mammalsactualclID_6550
CAFFEINESLCO1B1Solute carrier organic anion transporter family member 1B14.7035877.59739mammalsactualclID_6550
CAFFEINETHRBThyroid hormone receptor beta4.7035875.7223628.853872mammalsactualclID_6550
CAPROCTAMINEacheAcetylcholinesterase5.3349037.6883677.120051widespreadpredictedclID_6683
CAPROCTAMINECHRM2Muscarinic acetylcholine receptor M25.3349036.3244266.389072mammalspredictedclID_6683
CAPROCTAMINE HCLacheAcetylcholinesterase4.8009567.6883676.769551widespreadpredictedclID_6683
CAPTOPRILAceAngiotensin-converting enzyme5.5584656.207097.384878mammalsactualclID_2251
CAPTOPRILAce2Angiotensin-converting enzyme 25.5584655.1646377.209829mammalsactualclID_2251
CAPTOPRILacheAcetylcholinesterase5.5584657.6883675.113559widespreadactualclID_2251
CAPTOPRILMPHOSPH8M-phase phosphoprotein 85.5584656.5685826mammalsactualclID_2251
CAPTOPRILAbcc2Canalicular multispecific organic anion transporter 15.5584657.39389mammalsactualclID_2251
CAPTOPRILRENRenin5.5584658.2559798.769551mammalsactualclID_2251
CAPTOPRILSLC15A1Solute carrier family 15 member 15.5584655.0940527.106304mammalsactualclID_2251
CAPTOPRILSLCO1B1Solute carrier organic anion transporter family member 1B15.5584657.59739mammalsactualclID_2251
CAPTOPRILSLCO1B3Solute carrier organic anion transporter family member 1B35.5584657.4840179mammalsactualclID_2251
CAPTOPRILF2Prothrombin5.5584657.2220997.318759mammalsactualclID_2251
CARBACRINEacheAcetylcholinesterase5.9471977.6883676.901198widespreadpredictedclID_1110
CARBACRINEBCHECholinesterase5.9471977.5934046.528708mammalspredictedclID_1110
CARBACRINEGrin2bGlutamate receptor ionotropic, NMDA 2B5.9471977.1998856.130768mammalspredictedclID_1110
CARBACRINEGrin1Glutamate receptor ionotropic, NMDA 15.9471977.273346.130768mammalspredictedclID_1110
CHLORPYRIFOSacheAcetylcholinesterase4.6718427.6883676.008151widespreadactualclID_9389
CHLORPYRIFOSGMNNGeminin4.6718427.3136468.283997mammalsactualclID_9389
CHLORPYRIFOSAcheCarboxylic ester hydrolase4.6718424.416755.021819arthropodaactualclID_9389
CHLORPYRIFOSSLCO1B1Solute carrier organic anion transporter family member 1B14.6718427.59739mammalsactualclID_9389
CHLORPYRIFOSSLCO1B3Solute carrier organic anion transporter family member 1B34.6718427.4840179mammalsactualclID_9389
CHLORPYRIFOSTHRBThyroid hormone receptor beta4.6718425.7223626.500038mammalsactualclID_9389
CLOSANTELADORA3Adenosine receptor A35.6007046.3890697.142668mammalsactualclID_2064
CLOSANTELacheAcetylcholinesterase5.6007047.6883675.530031widespreadactualclID_2064
CLOSANTELEGFREpidermal growth factor receptor5.6007048.4366276.248721mammalsactualclID_2064
CLOSANTELFYNTyrosine-protein kinase Fyn5.6007046.4524096.027334mammalsactualclID_2064
CLOSANTELMapk14Mitogen-activated protein kinase 145.6007048.004326.183096mammalsactualclID_2064
CLOSANTELQ25615Chitinase5.6007045.447956.062354wormsactualclID_2064
CLOSANTELskaStreptokinase A5.6007046.60467.086186bacteriaactualclID_2064
CLOSANTELTBXAS1Thromboxane-A synthase5.6007046.1125147.19382mammalsactualclID_2064
CONGO REDacheAcetylcholinesterase4.82377.6883676.668786widespreadpredictedclID_8243
CONGO REDCHATCholine O-acetyltransferase4.82374.8476787mammalspredictedclID_8243
CONGO REDDHFRDihydrofolate reductase4.82376.1981586.39794widespreadpredictedclID_8243
CONGO REDENPP2Ectonucleotide pyrophosphatase/phosphodiesterase family member 24.82376.5801736.055487mammalspredictedclID_8243
CONGO REDSUP35Eukaryotic peptide chain release factor GTP-binding subunit4.82377.8557869fungipredictedclID_8243
CONGO REDSNCAAlpha-synuclein4.82376.3236016.373403mammalspredictedclID_8243
CONGO REDMAPTMicrotubule-associated protein tau4.82376.8187286.243805mammalspredictedclID_8243
CYCLOMORUSINacheAcetylcholinesterase5.1528977.6883675.508638widespreadpredictedclID_5053
CYCLOMORUSINBCHECholinesterase5.1528977.5934045.769551mammalspredictedclID_5053
DIHYDROTANSHINONE IacheAcetylcholinesterase5.9208197.6883675.977271widespreadactualclID_1151
DIHYDROTANSHINONE IELAVL1ELAV-like protein 15.9208194.3949717.098445mammalsactualclID_1151
DIHYDROTANSHINONE IEST1Liver carboxylesterase 15.9208195.1977576.400117mammalsactualclID_1151
DIHYDROTANSHINONE ICES2Cocaine esterase5.9208195.2805966.096592mammalsactualclID_1151
DIHYDROTANSHINONE ISLCO1B1Solute carrier organic anion transporter family member 1B15.9208197.59739mammalsactualclID_1151
DIHYDROTANSHINONE ISLCO1B3Solute carrier organic anion transporter family member 1B35.9208197.4840179mammalsactualclID_1151
HEXACHLOROPHENEADORA3Adenosine receptor A36.0995026.3890696.31847mammalsactualclID_842
HEXACHLOROPHENEacheAcetylcholinesterase6.0995027.6883675.520727widespreadactualclID_842
HEXACHLOROPHENEEGFREpidermal growth factor receptor6.0995028.4366276.12575mammalsactualclID_842
HEXACHLOROPHENEEsr2Estrogen receptor beta6.0995028.4187447.007579mammalsactualclID_842
HEXACHLOROPHENEHSP90AA1Heat shock protein HSP 90-alpha6.0995028.5160226.113509mammalsactualclID_842
HEXACHLOROPHENELMNAPrelamin-A/C [Cleaved into: Lamin-A/C6.0995027.057376.024988mammalsactualclID_842
HEXACHLOROPHENEMAPK1Mitogen-activated protein kinase 16.0995027.1599716.707744mammalsactualclID_842
HEXACHLOROPHENEMapk14Mitogen-activated protein kinase 146.0995028.004327.057496mammalsactualclID_842
HEXACHLOROPHENEPTGS2Prostaglandin G/H synthase 26.0995026.4271246.190912mammalsactualclID_842
HEXACHLOROPHENEPF3D7_1443900Heat shock protein 90, putative6.0995026.2576676.170053protozoanactualclID_842
HEXACHLOROPHENEskaStreptokinase A6.0995026.60466.694649bacteriaactualclID_842
KUWANON EacheAcetylcholinesterase6.6326077.6883675.508638widespreadpredictedclID_3834
KUWANON EBCHECholinesterase6.6326077.5934045.769551mammalspredictedclID_3834
KUWANONUacheAcetylcholinesterase6.6966177.6883675.508638widespreadpredictedclID_3834
KUWANONUBCHECholinesterase6.6966177.5934045.769551mammalspredictedclID_3834
LICORICIDINacheAcetylcholinesterase4.7679517.6883675.234105widespreadpredictedclID_10371
LICORICIDINPTPN1Tyrosine-protein phosphatase non-receptor type 14.7679517.1082696.278754mammalspredictedclID_10371
LOVASTATINacheAcetylcholinesterase5.1144567.6883675.334318widespreadactualclID_5420
LOVASTATINBCHECholinesterase5.1144567.5934045.452869mammalsactualclID_5420
LOVASTATINGMNNGeminin5.1144567.3136466.159255mammalsactualclID_5420
LOVASTATINHMGCR3-hydroxy-3-methylglutaryl-coenzyme A reductase5.1144566.3274257.012084mammalsactualclID_5420
LOVASTATINSLCO1A2Solute carrier organic anion transporter family member 1A25.1144566.7823146.278754mammalsactualclID_5420
LOVASTATINSLCO1B3Solute carrier organic anion transporter family member 1B35.1144567.4840179mammalsactualclID_5420
NIFEDIPINEacheAcetylcholinesterase4.6837677.6883675.24897widespreadactualclID_6999
NIFEDIPINEChrm1Muscarinic acetylcholine receptor M14.6837676.5345997.344893mammalsactualclID_6999
NIFEDIPINECHRM2Muscarinic acetylcholine receptor M24.6837676.3244267.853872mammalsactualclID_6999
NIFEDIPINEChrm3Muscarinic acetylcholine receptor M34.6837676.2070457.853872mammalsactualclID_6999
NIFEDIPINECHRM4Muscarinic acetylcholine receptor M44.6837675.8663927.853872mammalsactualclID_6999
NIFEDIPINEChrm5Muscarinic acetylcholine receptor M54.6837675.8007267.853872mammalsactualclID_6999
NIFEDIPINEampCBeta-lactamase4.6837676.3242936.450016bacteriaactualclID_6999
NIFEDIPINECACNA1CVoltage-dependent L-type calcium channel subunit alpha-1C4.6837678.5162076.193024mammalsactualclID_6999
NIFEDIPINECacna1dVoltage-dependent L-type calcium channel subunit alpha-1D4.6837678.3323426.019461mammalsactualclID_6999
NIFEDIPINEBCHECholinesterase4.6837677.5934045.440273mammalsactualclID_6999
NIFEDIPINECyp1a2Cytochrome P450 1A24.6837676.5070056.39223mammalsactualclID_6999
NIFEDIPINEHIF1AHypoxia-inducible factor 1-alpha4.6837676.4984856.199993mammalsactualclID_6999
NIFEDIPINEpfkATP-dependent 6-phosphofructokinase4.6837676.5826286.07099protozoanactualclID_6999
NIFEDIPINERGS4Regulator of G-protein signaling 44.6837676.4512436.448927mammalsactualclID_6999
NIFEDIPINESLCO1B3Solute carrier organic anion transporter family member 1B34.6837677.4840179mammalsactualclID_6999
NIFEDIPINETRPA1Transient receptor potential cation channel subfamily A member 14.6837675.5474226.39794mammalsactualclID_6999
NIFEDIPINETSHRThyrotropin receptor4.6837676.419676.799971mammalsactualclID_6999
NYMPHAEOL AacheAcetylcholinesterase5.292437.6883675.339806widespreadactualclID_3834
NYMPHAEOL AALOX5Arachidonate 5-lipoxygenase5.292436.6950926.200515mammalsactualclID_3834
NYMPHAEOL ABCHECarboxylic ester hydrolase5.292436.6341795.887345mammalsactualclID_3834
OXICONAZOLEADORA3Adenosine receptor A34.7951786.3890696.321479mammalsactualclID_2831
OXICONAZOLEacheAcetylcholinesterase4.7951787.6883675.332874widespreadactualclID_2831
OXICONAZOLECYP2C19Cytochrome P450 2C194.7951786.6463067.39794mammalsactualclID_2831
OXICONAZOLECYP2D6Cytochrome P450 2D64.7951786.8579816mammalsactualclID_2831
OXICONAZOLECYP3A4Cytochrome P450 3A44.7951786.8526267.045757mammalsactualclID_2831
OXICONAZOLESLC6A4Sodium-dependent serotonin transporter4.7951789.3989496.234182mammalsactualclID_2831
OXICONAZOLETBXAS1Thromboxane-A synthase4.7951786.1125146.209433mammalsactualclID_2831
PAPAVERINEacheAcetylcholinesterase5.7952337.6883675.009798widespreadactualclID_1423
PAPAVERINEChrm1Muscarinic acetylcholine receptor M15.7952336.5345996.175131mammalsactualclID_1423
PAPAVERINESMPD1Sphingomyelin phosphodiesterase5.7952336.0374089mammalsactualclID_1423
PAPAVERINECBX1Chromobox protein homolog 15.7952336.2030488.221849mammalsactualclID_1423
PAPAVERINEPde10acAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A5.7952337.3323177.304421mammalsactualclID_1423
PAPAVERINEQ9XSW7Phosphodiesterase5.7952336.97026.207608mammalsactualclID_1423
PAPAVERINERORCNuclear receptor ROR-gamma5.7952337.5488636.72642mammalsactualclID_1423
PAPAVERINETxnrd1Thioredoxin reductase 1, cytoplasmic5.7952336.7290156.47379mammalsactualclID_1423
PAZOPANIBacheAcetylcholinesterase4.9697867.6883676.031517widespreadactualclID_7154
PAZOPANIBAURKCAurora kinase C4.9697866.636286.124939mammalsactualclID_7154
PAZOPANIBBMPR1BBone morphogenetic protein receptor type-1B4.9697866.8978436mammalsactualclID_7154
PAZOPANIBBRAFSerine/threonine-protein kinase B-raf4.9697867.591316.251604mammalsactualclID_7154
PAZOPANIBCPK1Calcium-dependent protein kinase 14.9697864.9578766.431798protozoanactualclID_7154
PAZOPANIBCSF1RMacrophage colony-stimulating factor 1 receptor4.9697866.5944277.46054mammalsactualclID_7154
PAZOPANIBDDR1Epithelial discoidin domain-containing receptor 14.9697868.0275357.122559mammalsactualclID_7154
PAZOPANIBDDR2Discoidin domain-containing receptor 24.9697867.449017.002118mammalsactualclID_7154
PAZOPANIBEPHB6Ephrin type-B receptor 64.9697867.3247167.091515mammalsactualclID_7154
PAZOPANIBFGFR1Fibroblast growth factor receptor 14.9697867.4603426.490082mammalsactualclID_7154
PAZOPANIBFGFR2Fibroblast growth factor receptor 24.9697867.5640716.677781mammalsactualclID_7154
PAZOPANIBFGFR3Fibroblast growth factor receptor 34.9697867.2370046.169188mammalsactualclID_7154
PAZOPANIBFRKTyrosine-protein kinase FRK4.9697866.107746.124939mammalsactualclID_7154
PAZOPANIBGAKCyclin-G-associated kinase4.9697866.9670526.69897mammalsactualclID_7154
PAZOPANIBIRAK3Interleukin-1 receptor-associated kinase 34.9697866.9108226.09691mammalsactualclID_7154
PAZOPANIBKitMast/stem cell growth factor receptor Kit4.9697867.3913287.592998mammalsactualclID_7154
PAZOPANIBLCKTyrosine-protein kinase Lck4.9697867.2519686.047212mammalsactualclID_7154
PAZOPANIBLYNTyrosine-protein kinase Lyn4.9697866.1436026.004609mammalsactualclID_7154
PAZOPANIBMAP3K11Mitogen-activated protein kinase kinase kinase 114.9697866.8340736.027761mammalsactualclID_7154
PAZOPANIBMAP3K19Mitogen-activated protein kinase kinase kinase 194.9697867.3602926.026872mammalsactualclID_7154
PAZOPANIBMAP3K2Mitogen-activated protein kinase kinase kinase 24.9697866.8071886.537602mammalsactualclID_7154
PAZOPANIBMAP3K9Mitogen-activated protein kinase kinase kinase 94.9697866.8730146.537602mammalsactualclID_7154
PAZOPANIBMAP4K1Mitogen-activated protein kinase kinase kinase kinase 14.9697866.8833146.124939mammalsactualclID_7154
PAZOPANIBMAP4K4Mitogen-activated protein kinase kinase kinase kinase 44.9697865.2938726.078787mammalsactualclID_7154
PAZOPANIBMAP2K4Dual specificity mitogen-activated protein kinase kinase 44.9697866.3129996.229148mammalsactualclID_7154
PAZOPANIBMAP2K5Dual specificity mitogen-activated protein kinase kinase 54.9697867.4210136.318759mammalsactualclID_7154
PAZOPANIBNEK2Serine/threonine-protein kinase Nek24.9697866.1865416.139182mammalsactualclID_7154
PAZOPANIBPDGFRAPlatelet-derived growth factor receptor alpha4.9697866.8153017.492087mammalsactualclID_7154
PAZOPANIBPdgfrbPlatelet-derived growth factor receptor beta4.9697867.2776227.720187mammalsactualclID_7154
PAZOPANIBPIP4K2CPhosphatidylinositol 5-phosphate 4-kinase type-2 gamma4.9697866.6789716.552842mammalsactualclID_7154
PAZOPANIBPI4KBPhosphatidylinositol 4-kinase beta4.9697865.879346.017729mammalsactualclID_7154
PAZOPANIBPLK4Serine/threonine-protein kinase PLK44.9697865.4122356.537602mammalsactualclID_7154
PAZOPANIBRAF1RAF proto-oncogene serine/threonine-protein kinase4.9697867.6680576.045757mammalsactualclID_7154
PAZOPANIBRETProto-oncogene tyrosine-protein kinase receptor Ret4.9697866.6032096.332075mammalsactualclID_7154
PAZOPANIBRIOK2Serine/threonine-protein kinase RIO24.9697866.0796646.21467mammalsactualclID_7154
PAZOPANIBRIPK1Receptor-interacting serine/threonine-protein kinase 14.9697866.2035986.585027mammalsactualclID_7154
PAZOPANIBROS1Proto-oncogene tyrosine-protein kinase ROS4.9697866.1425926.036212mammalsactualclID_7154
PAZOPANIBSlkSTE20-like serine/threonine-protein kinase4.9697865.8635136.619789mammalsactualclID_7154
PAZOPANIBSTK10Serine/threonine-protein kinase 104.9697867.1042937.075721mammalsactualclID_7154
PAZOPANIBSTK16Serine/threonine-protein kinase 164.9697866.5331396.443697mammalsactualclID_7154
PAZOPANIBSTK36Serine/threonine-protein kinase 364.9697866.6959166.327902mammalsactualclID_7154
PAZOPANIBTAOK1Serine/threonine-protein kinase TAO14.9697866.3238986.359894mammalsactualclID_7154
PAZOPANIBTAOK3Serine/threonine-protein kinase TAO34.9697867.0197857.346787mammalsactualclID_7154
PAZOPANIBTIE1Tyrosine-protein kinase receptor Tie-14.9697866.8284756.154902mammalsactualclID_7154
PAZOPANIBTNIKTRAF2 and NCK-interacting protein kinase4.9697867.1901766.508638mammalsactualclID_7154
PAZOPANIBTNK1Non-receptor tyrosine-protein kinase TNK14.9697866.4908356.008774mammalsactualclID_7154
PAZOPANIBTTKDual specificity protein kinase TTK4.9697867.1230246.823909mammalsactualclID_7154
PAZOPANIBFLT1Vascular endothelial growth factor receptor 14.9697867.1593967.703298mammalsactualclID_7154
PAZOPANIBKdrVascular endothelial growth factor receptor 24.9697867.824727.15109mammalsactualclID_7154
PAZOPANIBFLT4Vascular endothelial growth factor receptor 34.9697866.8143887.450604mammalsactualclID_7154
PROPOXURacheAcetylcholinesterase5.1970057.6883676.190098widespreadactualclID_4636
PROPOXURSLCO1B1Solute carrier organic anion transporter family member 1B15.1970057.59739mammalsactualclID_4636
PROPOXURSLCO1B3Solute carrier organic anion transporter family member 1B35.1970057.4840179mammalsactualclID_4636
QUINIDINEBCHECholinesterase4.8567497.5934045.521314mammalsactualclID_530
QUINIDINECYP2D6Cytochrome P450 2D64.8567496.8579817.02473mammalsactualclID_530
QUINIDINEKCNH2Potassium voltage-gated channel subfamily H member 24.8567497.9464836.364291mammalsactualclID_530
QUINIDINESLCO1A2Solute carrier organic anion transporter family member 1A24.8567496.7823146.004799mammalsactualclID_530
RUTINAdora1Adenosine receptor A14.8386986.4534539mammalsactualclID_1263
RUTINacheAcetylcholinesterase4.8386987.6883677.920819widespreadactualclID_1263
RUTINESR1Estrogen receptor4.8386988.6672117.49793mammalsactualclID_1263
RUTINAcp5Tartrate-resistant acid phosphatase type 54.8386988.0837537.238371mammalsactualclID_1263
SACCHARINA6YCJ1Astrosclerin-34.7831474.6591986.12436notRecordedactualclID_8142
SACCHARINSYO3AOP1_0578Carbonate dehydratase4.7831474.6400526.057496bacteriaactualclID_8142
SACCHARINCAAlpha carbonic anhydrase4.7831474.734427.394695notRecordedactualclID_8142
SACCHARINCA2Carbonic anhydrase4.7831474.8446086.982967notRecordedactualclID_8142
SACCHARINCA12Carbonic anhydrase 124.7831475.4397476.196678mammalsactualclID_8142
SACCHARINCA14Carbonic anhydrase 144.7831475.2970976.111821mammalsactualclID_8142
SACCHARINCA6Carbonic anhydrase 64.7831475.2359416.029188mammalsactualclID_8142
SACCHARINCA7Carbonic anhydrase 74.7831475.5894348mammalsactualclID_8142
SACCHARINCA9Carbonic anhydrase 94.7831475.534416.990372mammalsactualclID_8142
SACCHARINBCHECholinesterase4.7831477.5934045.437828mammalsactualclID_8142
SACCHARINGMNNGeminin4.7831477.3136469.09691mammalsactualclID_8142
SACCHARINLMNAPrelamin-A/C [Cleaved into: Lamin-A/C4.7831477.057378.251812mammalsactualclID_8142
SACCHARINmtcA2Carbonic anhydrase 24.7831474.6194866.101275bacteriaactualclID_8142
SACCHARINTcr_1545Carbonic anhydrase, alpha family4.7831474.6020246.030118bacteriaactualclID_8142
SACCHARIN1272966Carbonic anhydrase4.7831474.7847027.020907arthropodaactualclID_8142
SACCHARINSLCO1B1Solute carrier organic anion transporter family member 1B14.7831477.59739mammalsactualclID_8142
SACCHARINSLCO1B3Solute carrier organic anion transporter family member 1B34.7831477.4840179mammalsactualclID_8142
SACCHARINTHRBThyroid hormone receptor beta4.7831475.7223628.60206mammalsactualclID_8142
SACCHARINVDRVitamin D3 receptor4.7831477.0250368.251812mammalsactualclID_8142
TRIFLUPROMAZINEChrm1Muscarinic acetylcholine receptor M15.7804356.5345996.399985mammalsactualclID_1458
TRIFLUPROMAZINEBCHECholinesterase5.7804357.5934045.130768mammalsactualclID_1458
TRIFLUPROMAZINECYP2D6Cytochrome P450 2D65.7804356.8579816.250005mammalsactualclID_1458
TRIFLUPROMAZINEDrd1D(1A) dopamine receptor5.7804357.4360396.143136mammalsactualclID_1458
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with Gonadotropin-releasing hormone receptors. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
KETOCONAZOLECYP11B1Cytochrome P450 11B1, mitochondrial5.7773965.1191446.535429mammalsactualclID_6688
KETOCONAZOLECyp11b2Cytochrome P450 11B2, mitochondrial5.7773964.6826816.481372mammalsactualclID_6688
KETOCONAZOLECYP17A1Steroid 17-alpha-hydroxylase/17,20 lyase5.7773966.3661696.011085mammalsactualclID_6688
KETOCONAZOLECYP24A11,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial5.7773968.1966916.313272mammalsactualclID_6688
KETOCONAZOLECYP27B125-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial5.7773968.4539086.765812mammalsactualclID_6688
KETOCONAZOLECyp2a2Cytochrome P450 2A25.7773969.5322946.349087mammalsactualclID_6688
KETOCONAZOLECYP3A4Cytochrome P450 3A45.7773966.8526266.763857mammalsactualclID_6688
KETOCONAZOLECYP3A5Cytochrome P450 3A55.7773966.5419396.275275mammalsactualclID_6688
KETOCONAZOLECYP51A1Lanosterol 14-alpha demethylase5.7773967.7138716.886986mammalsactualclID_6688
KETOCONAZOLECyp7a1Cytochrome P450 7A15.7773967.6432466.164877mammalsactualclID_6688
KETOCONAZOLEcamCCamphor 5-monooxygenase5.7773964.5814746.261439bacteriaactualclID_6688
KETOCONAZOLEGNRHRGonadotropin-releasing hormone receptor5.7773969.3286427.717881mammalsactualclID_6688
KETOCONAZOLEHSP90AA1Heat shock protein HSP 90-alpha5.7773968.5160226.361511mammalsactualclID_6688
KETOCONAZOLEKcnma1Calcium-activated potassium channel subunit alpha-15.7773965.675897.818086mammalsactualclID_6688
KETOCONAZOLEKCNMB1Calcium-activated potassium channel subunit beta-15.7773966.6486857.818086mammalsactualclID_6688
KETOCONAZOLELMNAPrelamin-A/C [Cleaved into: Lamin-A/C5.7773967.057376.42539mammalsactualclID_6688
KETOCONAZOLESLC6A4Sodium-dependent serotonin transporter5.7773969.3989496.412328mammalsactualclID_6688
KETOCONAZOLESLCO1A2Solute carrier organic anion transporter family member 1A25.7773966.7823149mammalsactualclID_6688
SUFUGOLIXGNRHRGonadotropin-releasing hormone receptor5.1481989.3286428.303246mammalspredictedclID_5096
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with ATPase ion pumps and selectivity profile. Size by predicted sarsScore

The corresponding tree map. 

Use search function in table to view values for specific interactions

molNamegeneNameprotnamesarsScoreMoleculegeneScoreinteractionScoreorganismTypekindOfValuemolecularCluster
AMENTOFLAVONEGABRA1Gamma-aminobutyric acid receptor subunit alpha-15.0809226.5957027.934496mammalsactualclID_459
AMENTOFLAVONEGABRA2Gamma-aminobutyric acid receptor subunit alpha-25.0809226.560098.09017mammalsactualclID_459
AMENTOFLAVONEGABRA3Gamma-aminobutyric acid receptor subunit alpha-35.0809226.5401458.09017mammalsactualclID_459
AMENTOFLAVONEGABRA4Gamma-aminobutyric acid receptor subunit alpha-45.0809226.4550528.09017mammalsactualclID_459
AMENTOFLAVONEGabra5Gamma-aminobutyric acid receptor subunit alpha-55.0809226.5494378.09017mammalsactualclID_459
AMENTOFLAVONEGabra6Gamma-aminobutyric acid receptor subunit alpha-65.0809226.4962278.09017mammalsactualclID_459
AMENTOFLAVONEGABRB1Gamma-aminobutyric acid receptor subunit beta-15.0809226.4482718.09017mammalsactualclID_459
AMENTOFLAVONEGABRB2Gamma-aminobutyric acid receptor subunit beta-25.0809226.5078987.934496mammalsactualclID_459
AMENTOFLAVONEGABRB3Gamma-aminobutyric acid receptor subunit beta-35.0809226.6090738.09017mammalsactualclID_459
AMENTOFLAVONEGABRDGamma-aminobutyric acid receptor subunit delta5.0809226.4757178.09017mammalsactualclID_459
AMENTOFLAVONEGABREGamma-aminobutyric acid receptor subunit epsilon5.0809226.432158.09017mammalsactualclID_459
AMENTOFLAVONEGabrg1Gamma-aminobutyric acid receptor subunit gamma-15.0809226.4451158.09017mammalsactualclID_459
AMENTOFLAVONEGABRG2Gamma-aminobutyric acid receptor subunit gamma-25.0809226.5991997.934496mammalsactualclID_459
AMENTOFLAVONEGabrg3Gamma-aminobutyric acid receptor subunit gamma-35.0809226.4401888.09017mammalsactualclID_459
AMENTOFLAVONEGABRPGamma-aminobutyric acid receptor subunit pi5.0809226.4402688.09017mammalsactualclID_459
AMENTOFLAVONEGabrqGamma-aminobutyric acid receptor subunit theta5.0809225.606148.221849mammalsactualclID_459
AMENTOFLAVONEOprd1Delta-type opioid receptor5.0809227.7700126.88524mammalsactualclID_459
AMENTOFLAVONEOprk1Kappa-type opioid receptor5.0809227.6990646.309804mammalsactualclID_459
AMENTOFLAVONEPGFPlacenta growth factor5.0809225.0388788.086186mammalsactualclID_459
AMENTOFLAVONEGabrqGABA theta subunit5.0809226.3823187.826814mammalsactualclID_459
AMENTOFLAVONEreverseReverse transcriptase5.0809227.6824666.556749virusactualclID_459
AMENTOFLAVONEVCPTransitional endoplasmic reticulum ATPase5.0809227.8021635.04653mammalsactualclID_459
AMENTOFLAVONEVEGFAVascular endothelial growth factor A5.0809226.35277.782516mammalsactualclID_459
AMENTOFLAVONEXdhXanthine dehydrogenase/oxidase [Includes: Xanthine dehydrogenase5.0809224.9569349mammalsactualclID_459
CB-5083PRKDCDNA-dependent protein kinase catalytic subunit5.4958675.8876356.30103mammalsactualclID_2541
CB-5083VCPTransitional endoplasmic reticulum ATPase5.4958677.8021636.327254mammalsactualclID_2541
DIAZIRINYL ARCHAZOLID AVATCV-type proton ATPase subunit C6.18246112.6659526.221849arthropodapredictedclID_722
DIGITOXIGENINATP12APotassium-transporting ATPase alpha chain 25.1766348.7983847.09691mammalsactualclID_364
DIGITOXIGENINATP1A1Sodium/potassium-transporting ATPase subunit alpha-15.1766347.2585877.11674mammalsactualclID_364
DIGITOXIGENINAtp1a2Sodium/potassium-transporting ATPase subunit alpha-25.1766347.2047327.145873mammalsactualclID_364
DIGITOXIGENINAtp1a3Sodium/potassium-transporting ATPase subunit alpha-35.1766347.2062567.145873mammalsactualclID_364
DIGITOXIGENINATP1A4Sodium/potassium-transporting ATPase subunit alpha-45.1766347.1665697.145873mammalsactualclID_364
DIGITOXIGENINATP1B1Sodium/potassium-transporting ATPase subunit beta-15.1766347.1698817.145873mammalsactualclID_364
DIGITOXIGENINATP1B2Sodium/potassium-transporting ATPase subunit beta-25.1766347.1678657.145873mammalsactualclID_364
DIGITOXIGENINATP1B3Sodium/potassium-transporting ATPase subunit beta-35.1766347.1657757.145873mammalsactualclID_364
DIGITOXIGENINATAD5ATPase family AAA domain-containing protein 55.1766347.2076996.118216mammalsactualclID_364
DIGITOXIGENINFXYD2Sodium/potassium-transporting ATPase subunit gamma5.1766347.1678657.145873mammalsactualclID_364
DIGITOXIGENINGlp1rGlucagon-like peptide 1 receptor5.1766347.1632036.299989mammalsactualclID_364
DIGITOXIGENINIDH1Isocitrate dehydrogenase [NADP] cytoplasmic5.1766346.9954166.286174mammalsactualclID_364
DIGITOXIGENINNfe2l2Nuclear factor erythroid 2-related factor 25.1766346.9420046.636165mammalsactualclID_364
DIGITOXIGENINTSHRThyrotropin receptor5.1766346.419676.321027mammalsactualclID_364
DIGITOXINALBSerum albumin6.6382727.035016.453498mammalsactualclID_364
DIGITOXINARAndrogen receptor6.6382726.8225477.300162mammalsactualclID_364
DIGITOXINATP1A1Sodium/potassium-transporting ATPase subunit alpha-16.6382727.2585878.09691mammalsactualclID_364
DIGITOXINAtp1a2Sodium/potassium-transporting ATPase subunit alpha-26.6382727.2047328.09691mammalsactualclID_364
DIGITOXINAtp1a3Sodium/potassium-transporting ATPase subunit alpha-36.6382727.2062568.09691mammalsactualclID_364
DIGITOXINATP1A4Sodium/potassium-transporting ATPase subunit alpha-46.6382727.1665698.09691mammalsactualclID_364
DIGITOXINATP1B1Sodium/potassium-transporting ATPase subunit beta-16.6382727.1698818.09691mammalsactualclID_364
DIGITOXINATP1B2Sodium/potassium-transporting ATPase subunit beta-26.6382727.1678658.09691mammalsactualclID_364
DIGITOXINATP1B3Sodium/potassium-transporting ATPase subunit beta-36.6382727.1657758.09691mammalsactualclID_364
DIGITOXINATAD5ATPase family AAA domain-containing protein 56.6382727.2076996.836242mammalsactualclID_364
DIGITOXINFXYD2Sodium/potassium-transporting ATPase subunit gamma6.6382727.1678658.09691mammalsactualclID_364
DIGITOXINESR1Estrogen receptor6.6382728.6672116.300006mammalsactualclID_364
DIGITOXINNR3C1Glucocorticoid receptor6.6382728.0726746.450016mammalsactualclID_364
DIGITOXINGMNNGeminin6.6382727.3136466.755689mammalsactualclID_364
DIGITOXINIDH1Isocitrate dehydrogenase [NADP] cytoplasmic6.6382726.9954166.686133mammalsactualclID_364
DIGITOXINLMNAPrelamin-A/C [Cleaved into: Lamin-A/C6.6382727.057376.050018mammalsactualclID_364
DIGITOXINNfe2l2Nuclear factor erythroid 2-related factor 26.6382726.9420047.02446mammalsactualclID_364
DIGITOXINNPC1NPC intracellular cholesterol transporter 16.6382726.598256.59998mammalsactualclID_364
DIGITOXINNr1h4Bile acid receptor6.6382726.877876.349984mammalsactualclID_364
DIGITOXINTp53Cellular tumor antigen p536.6382726.3537767.500313mammalsactualclID_364
DIGITOXINPpardPeroxisome proliferator-activated receptor delta6.6382726.1167126.550009mammalsactualclID_364
DIGITOXINPpargPeroxisome proliferator-activated receptor gamma6.6382726.6260456.500038mammalsactualclID_364
DIGITOXINRAB9ARas-related protein Rab-9A6.6382726.6456676.649946mammalsactualclID_364
DIGITOXINRXRARetinoic acid receptor RXR-alpha6.6382726.7993357.625039mammalsactualclID_364
DIGITOXINSLCO4C1Solute carrier organic anion transporter family member 4C16.6382729.8610046.920819mammalsactualclID_364
DIGITOXINSTAT3Signal transducer and activator of transcription 36.6382726.2902266.154902mammalsactualclID_364
DIGITOXINTHRBThyroid hormone receptor beta6.6382725.7223627.149967mammalsactualclID_364
DIGITOXINTDP1Tyrosyl-DNA phosphodiesterase 16.6382727.0136566.528682mammalsactualclID_364
DIGITOXINVDRVitamin D3 receptor6.6382727.0250366.250032mammalsactualclID_364
DIGOXINARAndrogen receptor6.7212466.8225476.333324mammalsactualclID_364
DIGOXINATP1A1Sodium/potassium-transporting ATPase subunit alpha-16.7212467.2585876.061936mammalsactualclID_364
DIGOXINAtp1a2Sodium/potassium-transporting ATPase subunit alpha-26.7212467.2047326.071068mammalsactualclID_364
DIGOXINAtp1a3Sodium/potassium-transporting ATPase subunit alpha-36.7212467.2062566.071068mammalsactualclID_364
DIGOXINATP1A4Sodium/potassium-transporting ATPase subunit alpha-46.7212467.1665696.194303mammalsactualclID_364
DIGOXINATP1B1Sodium/potassium-transporting ATPase subunit beta-16.7212467.1698816.194303mammalsactualclID_364
DIGOXINATP1B2Sodium/potassium-transporting ATPase subunit beta-26.7212467.1678656.022192mammalsactualclID_364
DIGOXINATP1B3Sodium/potassium-transporting ATPase subunit beta-36.7212467.1657756.022192mammalsactualclID_364
DIGOXINATAD5ATPase family AAA domain-containing protein 56.7212467.2076996.68634mammalsactualclID_364
DIGOXINFXYD2Sodium/potassium-transporting ATPase subunit gamma6.7212467.1678656.022192mammalsactualclID_364
DIGOXINESR1Estrogen receptor6.7212468.6672116.216672mammalsactualclID_364
DIGOXINNR3C1Glucocorticoid receptor6.7212468.0726746.125016mammalsactualclID_364
DIGOXINGMNNGeminin6.7212467.3136466.824155mammalsactualclID_364
DIGOXINIDH1Isocitrate dehydrogenase [NADP] cytoplasmic6.7212466.9954166.6362mammalsactualclID_364
DIGOXINCXCL8Interleukin-86.7212464.8123326.525056mammalsactualclID_364
DIGOXINlefLethal factor6.7212466.3633227.500313bacteriaactualclID_364
DIGOXINAbcc2Canalicular multispecific organic anion transporter 16.7212467.39386.995635mammalsactualclID_364
DIGOXINNfe2l2Nuclear factor erythroid 2-related factor 26.7212466.9420046.367298mammalsactualclID_364
DIGOXINNPC1NPC intracellular cholesterol transporter 16.7212466.598256.649946mammalsactualclID_364
DIGOXINNr1h4Bile acid receptor6.7212466.877876.383195mammalsactualclID_364
DIGOXINTp53Cellular tumor antigen p536.7212466.3537766.733362mammalsactualclID_364
DIGOXINPAX8Paired box protein Pax-86.7212465.0855836.383mammalsactualclID_364
DIGOXINPpardPeroxisome proliferator-activated receptor delta6.7212466.1167126.249965mammalsactualclID_364
DIGOXINRAB9ARas-related protein Rab-9A6.7212466.6456676.600002mammalsactualclID_364
DIGOXINRXRARetinoic acid receptor RXR-alpha6.7212466.7993356.887602mammalsactualclID_364
DIGOXINSlco1a4Solute carrier organic anion transporter family member 1A46.7212466.9980486.342883mammalsactualclID_364
DIGOXINTHRBThyroid hormone receptor beta6.7212465.7223626.633358mammalsactualclID_364
DIGOXINTNFTumor necrosis factor6.7212465.8785266.425043mammalsactualclID_364
DIGOXINTDP1Tyrosyl-DNA phosphodiesterase 16.7212467.0136566.203708mammalsactualclID_364
DIGOXINVDRVitamin D3 receptor6.7212467.0250366.125016mammalsactualclID_364
HEXACHLOROPHENEADORA3Adenosine receptor A36.0995026.3890696.31847mammalsactualclID_842
HEXACHLOROPHENEEGFREpidermal growth factor receptor6.0995028.4366276.12575mammalsactualclID_842
HEXACHLOROPHENEEsr2Estrogen receptor beta6.0995028.4187447.007579mammalsactualclID_842
HEXACHLOROPHENEHSP90AA1Heat shock protein HSP 90-alpha6.0995028.5160226.113509mammalsactualclID_842
HEXACHLOROPHENELMNAPrelamin-A/C [Cleaved into: Lamin-A/C6.0995027.057376.024988mammalsactualclID_842
HEXACHLOROPHENEMAPK1Mitogen-activated protein kinase 16.0995027.1599716.707744mammalsactualclID_842
HEXACHLOROPHENEMapk14Mitogen-activated protein kinase 146.0995028.004327.057496mammalsactualclID_842
HEXACHLOROPHENEPTGS2Prostaglandin G/H synthase 26.0995026.4271246.190912mammalsactualclID_842
HEXACHLOROPHENEPF3D7_1443900Heat shock protein 90, putative6.0995026.2576676.170053protozoanactualclID_842
HEXACHLOROPHENEskaStreptokinase A6.0995026.60466.694649bacteriaactualclID_842
HEXACHLOROPHENEVCPTransitional endoplasmic reticulum ATPase6.0995027.8021635.260586mammalsactualclID_842
IVERMECTINADORA3Adenosine receptor A35.526.3890696.414573mammalsactualclID_2585
IVERMECTINATP1A1Sodium/potassium-transporting ATPase subunit alpha-15.527.2585875.0846mammalsactualclID_2585
IVERMECTINAtp1a2Sodium/potassium-transporting ATPase subunit alpha-25.527.2047325.188425mammalsactualclID_2585
IVERMECTINAtp1a3Sodium/potassium-transporting ATPase subunit alpha-35.527.2062565.188425mammalsactualclID_2585
IVERMECTINATP2A1Sarcoplasmic/endoplasmic reticulum calcium ATPase 15.526.7628964.772113mammalsactualclID_2585
IVERMECTINAtp2a2Sarcoplasmic/endoplasmic reticulum calcium ATPase 25.529.763735.172631mammalsactualclID_2585
IVERMECTINGlra1Glycine receptor subunit alpha-15.525.6775866.550195mammalsactualclID_2585
IVERMECTINGlra2Glycine receptor subunit alpha-25.525.8505296.550195mammalsactualclID_2585
IVERMECTINGLRA3Glycine receptor subunit alpha-35.525.2160476.550195mammalsactualclID_2585
IVERMECTINGlrbGlycine receptor subunit beta5.524.9957836.550195mammalsactualclID_2585
IVERMECTINABCB1ATP-dependent translocase ABCB15.528.7202496.349589widespreadactualclID_2585
IVERMECTINAbcb1aATP-dependent translocase ABCB15.527.3823126.30103mammalsactualclID_2585
IVERMECTINAbcb1bATP-dependent translocase ABCB15.527.9809446.30103mammalsactualclID_2585
IVERMECTINNr1h4Bile acid receptor5.526.877876.05983mammalsactualclID_2585
OMEPRAZOLEATP12APotassium-transporting ATPase alpha chain 24.6810418.7983845.481486mammalsactualclID_3072
OMEPRAZOLEAtp4aPotassium-transporting ATPase alpha chain 14.6810418.2334935.733525mammalsactualclID_3072
OMEPRAZOLEATP4BPotassium-transporting ATPase subunit beta4.6810418.2893885.733525mammalsactualclID_3072
OMEPRAZOLEAbcc2Canalicular multispecific organic anion transporter 14.6810417.39389mammalsactualclID_3072
OMEPRAZOLEVDRVitamin D3 receptor4.6810417.0250366.002598mammalsactualclID_3072
OUABAINARAndrogen receptor7.0132286.8225477.525049mammalsactualclID_364
OUABAINATP1A1Sodium/potassium-transporting ATPase subunit alpha-17.0132287.2585875.177937mammalsactualclID_364
OUABAINAtp1a2Sodium/potassium-transporting ATPase subunit alpha-27.0132287.2047325.260468mammalsactualclID_364
OUABAINAtp1a3Sodium/potassium-transporting ATPase subunit alpha-37.0132287.2062565.303944mammalsactualclID_364
OUABAINATP1A4Sodium/potassium-transporting ATPase subunit alpha-47.0132287.1665695.542759mammalsactualclID_364
OUABAINATP1B1Sodium/potassium-transporting ATPase subunit beta-17.0132287.1698815.533483mammalsactualclID_364
OUABAINATP1B2Sodium/potassium-transporting ATPase subunit beta-27.0132287.1678655.16615mammalsactualclID_364
OUABAINATP1B3Sodium/potassium-transporting ATPase subunit beta-37.0132287.1657755.376655mammalsactualclID_364
OUABAINATAD5ATPase family AAA domain-containing protein 57.0132287.2076997.002949mammalsactualclID_364
OUABAINATXN2Ataxin-27.0132286.5732447.287879mammalsactualclID_364
OUABAINESR1Estrogen receptor7.0132288.6672116.749975mammalsactualclID_364
OUABAINNR3C1Glucocorticoid receptor7.0132288.0726746.550059mammalsactualclID_364
OUABAINGMNNGeminin7.0132287.3136466.318968mammalsactualclID_364
OUABAINIDH1Isocitrate dehydrogenase [NADP] cytoplasmic7.0132286.9954166.886057mammalsactualclID_364
OUABAINKLF5Krueppel-like factor 57.0132284.8706836.783702mammalsactualclID_364
OUABAINLMNAPrelamin-A/C [Cleaved into: Lamin-A/C7.0132287.057376.540064mammalsactualclID_364
OUABAINNPC1NPC intracellular cholesterol transporter 17.0132286.598256.799971mammalsactualclID_364
OUABAINNr1h4Bile acid receptor7.0132286.877876.550059mammalsactualclID_364
OUABAINTp53Cellular tumor antigen p537.0132286.3537767.300162mammalsactualclID_364
OUABAINPpardPeroxisome proliferator-activated receptor delta7.0132286.1167126.674995mammalsactualclID_364
OUABAINPpargPeroxisome proliferator-activated receptor gamma7.0132286.6260456.724919mammalsactualclID_364
OUABAINRAB9ARas-related protein Rab-9A7.0132286.6456676.899974mammalsactualclID_364
OUABAINRXRARetinoic acid receptor RXR-alpha7.0132286.7993356.949987mammalsactualclID_364
OUABAINSMAD3Mothers against decapentaplegic homolog 37.0132286.5181096.151709mammalsactualclID_364
OUABAINSMN1Survival motor neuron protein7.0132287.0343676.662505mammalsactualclID_364
OUABAINSLCO1B1Solute carrier organic anion transporter family member 1B17.0132287.59737.004343mammalsactualclID_364
OUABAINSLCO1B3Solute carrier organic anion transporter family member 1B37.0132287.4840176.71996mammalsactualclID_364
OUABAINSLCO4C1Solute carrier organic anion transporter family member 4C17.0132289.8610046.420216mammalsactualclID_364
OUABAINTHRBThyroid hormone receptor beta7.0132285.7223626.899974mammalsactualclID_364
OUABAINVDRVitamin D3 receptor7.0132287.0250367.025117mammalsactualclID_364
And finally, drug structures.

Molecule labels key

Repurposed drugs interacting with histone deacetylases and selectivity profile. Size by predicted sarsScore