All the interactions of these ubiquitin tagging subunits, histone deacetylases and bromodomain proteins with actual or predicted SARS active compounds and associated pathways.
Molecular interactions reported in ChEMBL for ubiquitin tagging subunits, histone deacetylases and bromodomain proteins. Pathways added from Reactome.
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.
And how are these ubiquitin tagging subunits, histone deacetylases and bromodomain proteins 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.
Scatter plot flagging best ranked Ubiquitin tagging subunits, histone deacetylases and bromodomain proteins.
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.