The ExCAPE-DB dataset, consisting of 70,850,163 activity data points of 998,131 compounds measured on 1,667 targets, was first discarded of records originating from ChEMBL version 20 or whose assay identifiers were present in the PubChem flagged data of the preprocessed ChEMBL29. Gene Entrez identifiers were mapped, using the identifier mapping tool of UniProt, to protein unique Swiss-Prot sequences. Only four genes were manually mapped, three genes as they resolved to multiple reviewed entries and one gene as it resolved to multiple unreviewed entries(Supplementary 6