Skip to main content

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