allSARSCoVTargetClassesTabs

Fungal glucan synthases

Scatter plot flagging best ranked glucan synthases .

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Aggregated SARS scores at the protein level: Log10(degree): logged number of interactions for each protein. SARS_Score: Aggregated score against coronavirus infection per protein. Size by Degree/CountOfScores represents the number of SARS actiove interactions vs total records per protein in ChEMBL. Color by condition of elements involved in score aggregation; they can be built from actual, predicted values or a combination of both. Shape indicates the organism type as described in the legend.

And how are these glucan synthases ranked by their combination of scores.

Log10(degree): logged number of interactions for each protein. SARS_Score: Aggregated score against coronavirus infection per protein. Size by Degree/CountOfScores represents the number of SARS active interactions vs total records per protein in ChEMBL.

And all the interactions of these glucan synthases with actual or predicted SARS active compounds.

Molecular interactions graph for glucan synthases with ChEMBL compounds and Reactome Pathways.

References supporting glucan synthase drugs for CoViD

Want to see glucan synthase molecules?

Kinesins

Scatter plot flagging best ranked kinesins .

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And how are these kinesins ranked by their combination of scores.

And all the interactions of these kinesins with actual or predicted SARS active compounds.

Molecular interactions graph for kinesins with ChEMBL compounds and Reactome Pathways.

References supporting kinesins as targets for CoViD

Want to see kinesin molecules?

G-protein coupled receptors

Scatter plot flagging best ranked GPCRs.

And how are these GPCRs ranked by their combination of scores.

And all the interactions of these GPCRs with actual or predicted SARS active compounds.

Protein-compounds/pathways interaction graph for G-protein coupled receptors.

Adrenergic, serotonin and dopamine receptors

Literature references

Glucagon-like peptide receptors

Literature references

Tachykinin receptors

Literature references

Tachykinin receptors molecules

Opioid receptors

Literature references

Cannabinoid receptors

Literature references

Angiotensin receptors

Literature references

Melanin-concentrating hormone receptors

Literature references

Chemokine receptors

Literature references

Tyrosine protein kinases / growth factors

Scatter plot flagging best ranked tyrosine kinases.

And how are these tyrosine kinases ranked by their combination of scores.

And all the interactions of these tyrosine kinases with actual or predicted SARS active compounds.

Protein-compounds/pathways interaction graph for Tyrosine kinases.

References supporting tyrosine kinases as targets for CoViD

DNA/RNA interacting proteins

Scatter plot flagging best ranked DNA/RNA interacting proteins.

And how are these DNA/RNA interacting proteins ranked by their combination of scores.

And all the interactions of these DNA/RNA interacting proteins with actual or predicted SARS active compounds.

RNA/DNA-binding proteins interaction map. Protein colors by organism.

References supporting DNA/RNA interacting proteins as targets for CoViD

Ion channels

Scatter plot flagging best ranked ion channels.

And how are these ion channels ranked by their combination of scores.

And all the interactions of these ion channels with actual or predicted SARS active compounds.

Protein-compounds/pathways interaction graph for ion channels.

References supporting ion channels as antiviral targets

Want to see ion channel molecules?

References supporting K-channels as targets for CoViD

Want to see K-channels molecules?

References supporting Ca-channels as targets for CoViD

Want to see Ca-channels molecules?

References supporting TRP channels as targets for CoViD

Want to see TRP-channels molecules?

References supporting P2X7 channels as targets for CoViD

Want to see P2X7 receptors molecules?

Want to see Na-channels molecules?

Proteins involved in sterols synthesis

Scatter plot flagging best ranked proteins involved in sterols synthesis from different groups of organisms.

And how are these proteins involved in sterols synthesis ranked by their combination of scores.

And all the interactions of these proteins involved in sterols synthesis with actual or predicted SARS active compounds and the pathways they are involved in.

Sterol synthesis proteins interaction graph. Color by organism type.

References supporting sterol synthesis proteins as antiviral targets

Ubiquitin ligase components BRDs & HDACs

Want to see Ub-ligase molecules?

Scatter plot flagging best ranked Ubiquitin tagging subunits, histone deacetylases and bromodomain proteins.

And how are these ubiquitin tagging subunits, histone deacetylases and bromodomain proteins ranked by their combination of scores.

And all the interactions of these ubiquitin tagging subunits, histone deacetylases and bromodomain proteins with actual or predicted SARS active compounds.

Molecular interactions reported in ChEMBL for ubiquitin tagging subunits, histone deacetylases and bromodomain proteins. Pathways added from Reactome.

References supporting Ub-ligases as antiviral targets

References supporting BRDs as antiviral targets

References supporting HDACs as antiviral targets

Want to see Ub-ligase molecules?

Want to see BRD molecules?

Want to see HDAC molecules?

Some sparse coagulation factors

Scatter plot flagging best ranked coagulation factors.

And how are these coagulation factors ranked by their combination of scores.

And all the interactions of these coagulation factors with actual or predicted SARS active compounds.

Molecular interactions graph for coagulation factors with ChEMBL compounds and Reactome Pathways. Protein nodes clolored by organism.

References supporting coagulation factors as targets for CoViD

Want to see TFPI molecules?

Serine/threonine and PI kinases

Scatter plot flagging best ranked serine/threonine and PI kinases.

And how are these serine/threonine and PI kinases ranked by their combination of scores.

And all the interactions of these serine/threonine and PI kinases with actual or predicted SARS active compounds.

Molecular interactions graph for serine/threonine and PI kinases with ChEMBL compounds and Reactome Pathways.

References supporting the ERK/MAPK and PI3K/AKT/mTOR axis role fopr CoViD

Sigma receptors

Scatter plot flagging best ranked Sigma receptors.

And how are these Sigma receptors ranked by their combination of scores.

And all the interactions of these Sigma receptors with actual or predicted SARS active compounds. Note the connections with cholesterol synthesis enzymes.

Molecular interactions graph for Sigma receptors with ChEMBL compounds and Reactome Pathways.

References supporting Sigma receptors as targets for CoViD

Nuclear steroid hormone receptors

Scatter plot flagging best ranked nuclear steroid hormone receptors.

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And how are these nuclear steroid hormone receptors ranked by their combination of scores.

And all the interactions of these nuclear steroid hormone receptors with actual or predicted SARS active compounds.

Molecular interactions graph for nuclear steroid hormone receptors with ChEMBL compounds and Reactome Pathways.

References supporting nuclear receptors as targets for CoViD

Heat shock proteins

Scatter plot flagging best ranked heat shock proteins.

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And how are these HSPs ranked by their combination of scores.

And all the interactions of these HSPs with actual or predicted SARS active compounds.

Molecular interactions graph for heat shock proteins with ChEMBL compounds and Reactome Pathways.

References supporting HSPs as targets for CoViD

Ribosomal proteins

Scatter plot flagging best ranked ribosomal proteins.

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And how are these ribosomal proteins ranked by their combination of scores.

And all the interactions of these ribosomal proteins with actual or predicted SARS active compounds.

Molecular interactions graph for ribosomal proteins with ChEMBL compounds and Reactome Pathways.

References supporting ribosomal proteins as targets for CoViD

Want to see ribosomal proteins molecules?

Apoptosis regulator Bcl-2

Scatter plot flagging best ranked BCL2 proteins.

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And how are these BCL2 proteins ranked by their combination of scores.

And all the interactions of these BCL2 proteins with actual or predicted SARS active compounds.

Molecular interactions graph for BCL2 proteins with ChEMBL compounds and Reactome Pathways.

References supporting BCL2 proteins as targets for CoViD

References supporting BCL2 drugs for CoViD

Want to see BCL2 molecules?

Ion pumps

Scatter plot flagging best ranked ion pumps.

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And how are these ion pumps ranked by their combination of scores.

And all the interactions of these ion pumps with actual or predicted SARS active compounds.

Molecular interactions graph for ion pumps with ChEMBL compounds and Reactome Pathways.

References supporting ion pumps as targets for CoViD

Adhesion proteins

Scatter plot flagging best ranked adhesion proteins.

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And how are these adhesion proteins ranked by their combination of scores.

And all the interactions of these adhesion proteins with actual or predicted SARS active compounds.

Molecular interactions graph for adhesion proteins with ChEMBL compounds and Reactome Pathways.

References supporting adhesion proteins as targets for CoViD

Gonadotropin-releasing hormone receptor GNRHR

Scatter plot flagging GNRHR.

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And how is GNRHR ranked by their combination of scores.

And all the interactions of GNRHR with actual or predicted SARS active compounds.

Molecular interactions graph for GNRHR with ChEMBL compounds and Reactome Pathways.

References supporting GNRHR as target for CoViD

Want to see GNRHR molecules?

Acetyl and butiryl cholinesterases

Scatter plot flagging best ranked cholinesterases.

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And how are these cholinesterases ranked by their combination of scores.

And all the interactions of these cholinesterases with actual or predicted SARS active compounds.

Molecular interactions graph for cholinesterases with ChEMBL compounds and Reactome Pathways.

Are cholinesterases an artifact or a non described/reported/suspected mechanism?

No clear references have been found in literature linking cholinesterases to antiviral effects.

Canonical cholinesterase inhibitors (DONEPEZIL, ECHOTHIOPHATE, GALANTAMINE, ISOFLUROPHATE, MINAPRINE, NEOSTIGMINE, PYRIDOSTIGMINE, RIVASTIGMINE, TACRINE) have not been identified as active against coronavirus, neither in actual nor predicted records.

The selectivity index (Degree/CountOfScores representing the number of SARS active interactions vs total records per protein in ChEMBL) is very low, suggesting an artefactual finding caused by over representation of cholinesetrase molecules.

However, if we look at the selectivity of these interactions, although we find quite high pleiotropy among the drugs interacting with cholinesterases, most of molregnos seem to be uniquely associated to cholinesterase activity. See interactions graph below.

All interactions of cholinesterase compounds identified as SARS active.

Other viral proteins.

Scatter plot flagging best ranked additional viral proteins.

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And how are these additional viral proteins ranked by their combination of scores.

And all the interactions of these viral proteins with actual or predicted SARS active compounds.

Molecular interactions graph for additional viral proteins with ChEMBL compounds and Reactome Pathways.

References supporting some other viral proteins as targets for CoViD

Non-classified proteins.

Scatter plot flagging best ranked non-classified proteins .

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And how are these non-classified proteins ranked by their combination of scores.

And all the interactions of these non classified proteins with actual or predicted SARS active compounds.

Molecular interactions graph for non-classified proteins with ChEMBL compounds and Reactome Pathways. Color by protein organism.

For these proteins, drTarget has failed to find clear literature references supporting their relevance against viral infections.

They may be false positives, but they can be new subjects for research instead.

Why not to give them a chance in an early prospective program?

Proteins linked to SARS reactome pathways.

Scatter plot flagging all ChEMBL proteins linked to SARS pathways annotated in Reactome DB. Note significant scores for SigmaR1, Jak & ROCK kinases, FURIN protease, viral replicases, FKBPs, histone deacetylase HDAC2, glucocorticoid receptor NR3C1, bromodomain protein BRD4, Ub-transference subunits like CRBN and VHL, leukotriene receptor CYSLTR1 and Interleukin-6 receptor.

And how are these proteins linked to SARS pathways annotated in Reactome DB ranked by their combination of scores.

And all the interactions of these proteins linked to SARS pathways annotated in Reactome DB with actual or predicted SARS active compounds.

All proteins linked to SARS pathways annotated in Reactome DB interaction map. Protein colors by organism.

Note how SARS pathways from reactome contain proteins identified by drTarget algorithms as relevant for coronavirus infections.

geneName	protName	avgSARSScore	kindOfValue	organismType	Degree	protein_class_name
rep	Replicase polyprotein 1ab	5.23983187	actual	virus	147	Enzyme
1a	Replicase polyprotein 1a	5.146501741	actual	virus	101	Enzyme
VHL	von Hippel-Lindau disease tumor suppressor	4.412667156	actualAndPredicted	mammals	43	Unclassified protein
FURIN	Furin	3.804257957	predicted	mammals	169	Serine protease S8B subfamily
CRBN	Protein cereblon	4.397967462	actualAndPredicted	mammals	19	Unclassified protein
Sigmar1	Sigma non-opioid intracellular receptor 1	2.816706135	actualAndPredicted	mammals	692	Membrane receptor, Other membrane protein
NR3C1	Glucocorticoid receptor	2.841753598	actualAndPredicted	mammals	348	Nuclear hormone receptor subfamily 3 group C member 1
CYSLTR1	Cysteinyl leukotriene receptor 1	3.065313119	actualAndPredicted	mammals	182	Leukotriene receptor
BRD4	Bromodomain-containing protein 4	2.729343003	actualAndPredicted	mammals	218	Bromodomain
IL6R	Interleukin-6 receptor subunit alpha	4.640871157	actual	mammals	1	Membrane receptor, Secreted protein
JAK2	Tyrosine-protein kinase JAK2	2.364319566	actualAndPredicted	mammals	328	Tyrosine protein kinase JakA family, Tyrosine protein kinase JakB family
TUBB	Tubulin beta chain	2.879798395	actualAndPredicted	mammals	92	Structural protein
JAK1	Tyrosine-protein kinase JAK1	2.409715954	actualAndPredicted	mammals	195	Tyrosine protein kinase JakA family, Tyrosine protein kinase JakB family
JAK3	Tyrosine-protein kinase JAK3	2.312167295	actualAndPredicted	mammals	197	Tyrosine protein kinase JakA family, Tyrosine protein kinase JakB family
Hdac2	Histone deacetylase 2	2.364636615	actualAndPredicted	mammals	173	HDAC class I
FKBP1A	Peptidyl-prolyl cis-trans isomerase FKBP1A	2.811545153	actualAndPredicted	mammals	57	Isomerase
TBK1	Serine/threonine-protein kinase TBK1	2.492399882	actualAndPredicted	mammals	113	Other protein kinase IKK family
ATP1A1	Sodium/potassium-transporting ATPase subunit alpha-1	3.00165687	actualAndPredicted	mammals	25	Hydrolase, Sodium potassium ATPase

Note: Reactome Pathways is building New SARS-CoV-2 pathways to be included in the DB. Meanwhile, drTarget uses the existing SARS-CoV-1 paths, presumably similar, if not identical. However it is very likely that intensive research on SARS-CoV-2 reveals new networks to be included in future analyses.

Transporters

Scatter plot flagging best ranked transporters.

And how are these transporters ranked by their combination of scores.

And all the interactions of these transporters with actual or predicted SARS active compounds.

Protein-compounds/pathways interaction graph for transporters.

References supporting transporters as targets for CoViD

Want to see ABCA1 molecules?

Proteases

Scatter plot flagging best ranked proteases.

Predicted activities have been aggregated at the protein level into different scores attending to their potency, frequency of protein-molecule interactions, and specificity based on positive records vs total number of active records. Network graphs show all ChEMBL interactions of predicted active molecules. Barcharts and scatter plots show the aggregated potency against SARS-CoV (SARS_Score) vs the number of distinct molecular interactions for each protein (expressed as logged degree). Most interesting proteins attending to any of these values have been flagged in the scatter plots. Additional details as described in respective captions.

Click to download csv files with SARS predictions: 64k SARS active compounds, all interactions of active compounds and results aggregated at the target and pathway levels