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Table 1 Number of compounds available from different data sources (PDB, ChEMBL, IUPHAR, PubChem) for the five top-ranked protein targets retrieved from both the UniProt pre-release web page and the Open Targets Platform

From: A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19

Target shortcut Target source PDB ChEMBL IUPHAR PubChem # Unique active compounds
PPIA_HUMAN UniProt pre-release 57 2 1 3123 3183
CATL1_HUMAN UniProt pre-release 25 38 4 946 1003
ITAL_HUMAN UniProt pre-release 13 94 2 550 564
FURIN_HUMAN UniProt pre-release 4 10 1 448 463
R1AB_CVHSA UniProt pre-release 37 187 0 47 227
GABRG2_HUMAN Open Targets Platform 152 0 677 2 831
MMP13_HUMAN Open Targets Platform 319 3 80 28 430
GABRB1_HUMAN Open Targets Platform 121 0 166 0 287
DPP4_HUMAN Open Targets Platform 140 2 29 14 185
GABRA1_HUMAN Open Targets Platform 3 4 172 2 181