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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB03329
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03329 2-Pyridinethiol Thumb


1 known interactions (targets) of input drug (DB03329): 2-Pyridinethiol
No. Gene UniProt ID Protein Name Pathway PDB
1 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH


20 predicted interactions (targets) of input drug (DB03329): 2-Pyridinethiol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PYGM P11217 Glycogen phosphorylase, muscle form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1Z8D 19.2%
2 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 18.4%
3 CDK2 P24941 Cyclin-dependent kinase 2 hsa04068; hsa04110; hsa04114; hsa04115; hsa04151; hsa04218; hsa04914; hsa04934; hsa05161; hsa05162; hsa05165; hsa05168; hsa05169; hsa05200; hsa05203; hsa05215; hsa05222; hsa05226
1AQ1; 1B38; 1B39; 1BUH; 1CKP; 1DI8; 1DM2; 1E1V; 1E1X; 1E9H; 1F5Q; 1FIN; 1FQ1; 1FVT; 1FVV; 1G5S; 1GIH; 1GII; 1GIJ; 1GY3; 1GZ8; 1H00; 1H01; 1H07; 1H08; 1H0V; 1H0W; 1H1P; 1H1Q; 1H1R; 1H1S; 1H24; 1H25; 1H26; 1H27; 1H28; 1HCK; 1HCL; 1JST; 1JSU; 1JSV; 1JVP; 1KE5; 1KE6; 1KE7; 1KE8; 1KE9; 1OGU; 1OI9; 1OIQ; 1OIR; 1OIT; 1OIU; 1OIY; 1OKV; 1OKW; 1OL1; 1OL2; 1P2A; 1P5E; 1PF8; 1PKD; 1PW2; 1PXI; 1PXJ; 1PXK; 1PXL; 1PXM; 1PXN; 1PXO; 1PXP; 1PYE; 1QMZ; 1R78; 1URC; 1URW; 1V1K; 1VYW; 1VYZ; 1W0X; 1W8C; 1W98; 1WCC; 1Y8Y; 1Y91; 1YKR; 2A0C; 2A4L; 2B52; 2B53; 2B54; 2B55; 2BHE; 2BHH; 2BKZ; 2BPM; 2BTR; 2BTS; 2C4G; 2C5N; 2C5O; 2C5V; 2C5X; 2C5Y; 2C68; 2C69; 2C6I; 2C6K; 2C6L; 2C6M; 2C6O; 2C6T; 2CCH; 2CCI; 2CJM; 2CLX; 2DS1; 2DUV; 2EXM; 2FVD; 2G9X; 2HIC; 2I40; 2IW6; 2IW8; 2IW9; 2J9M; 2JGZ; 2R3F; 2R3G; 2R3H; 2R3I; 2R3J; 2R3K; 2R3L; 2R3M; 2R3N; 2R3O; 2R3P; 2R3Q; 2R3R; 2R64; 2UUE; 2UZB; 2UZD; 2UZE; 2UZL; 2UZN; 2UZO; 2V0D; 2V22; 2VTA; 2VTH; 2VTI; 2VTJ; 2VTL; 2VTM; 2VTN; 2VTO; 2VTP; 2VTQ; 2VTR; 2VTS; 2VTT; 2VU3; 2VV9; 2W05; 2W06; 2W17; 2W1H; 2WEV; 2WFY; 2WHB; 2WIH; 2WIP; 2WMA; 2WMB; 2WPA; 2WXV; 2X1N; 2XMY; 2XNB; 3BHT; 3BHU; 3BHV; 3DDP; 3DDQ; 3DOG; 3EID; 3EJ1; 3EOC; 3EZR; 3EZV; 3F5X; 3FZ1; 3IG7; 3IGG; 3LE6; 3LFN; 3LFQ; 3LFS; 3MY5; 3NS9; 3PJ8; 3PXF; 3PXQ; 3PXR; 3PXY; 3PXZ; 3PY0; 3PY1; 3QHR; 3QHW; 3QL8; 3QQF; 3QQG; 3QQH; 3QQJ; 3QQK; 3QQL; 3QRT; 3QRU; 3QTQ; 3QTR; 3QTS; 3QTU; 3QTW; 3QTX; 3QTZ; 3QU0; 3QWJ; 3QWK; 3QX2; 3QX4; 3QXO; 3QXP; 3QZF; 3QZG; 3QZH; 3QZI; 3R1Q; 3R1S; 3R1Y; 3R28; 3R6X; 3R71; 3R73; 3R7E; 3R7I; 3R7U; 3R7V; 3R7Y; 3R83; 3R8L; 3R8M; 3R8P; 3R8U; 3R8V; 3R8Z; 3R9D; 3R9H; 3R9N; 3R9O; 3RAH; 3RAI; 3RAK; 3RAL; 3RJC; 3RK5; 3RK7; 3RK9; 3RKB; 3RM6; 3RM7; 3RMF; 3RNI; 3ROY; 3RPO; 3RPR; 3RPV; 3RPY; 3RZB; 3S00; 3S0O; 3S1H; 3S2P; 3SQQ; 3SW4; 3SW7; 3TI1; 3TIY; 3TIZ; 3TNW; 3ULI; 3UNJ; 3UNK; 3WBL; 4ACM; 4BCK; 4BCM; 4BCN; 4BCO; 4BCP; 4BCQ; 4BGH; 4BZD; 4CFM; 4CFN; 4CFU; 4CFV; 4CFW; 4CFX; 4D1X; 4D1Z; 4EK3; 4EK4; 4EK5; 4EK6; 4EK8; 4EOI; 4EOJ; 4EOK; 4EOL; 4EOM; 4EON; 4EOO; 4EOP; 4EOQ; 4EOR; 4EOS; 4ERW; 4EZ3; 4EZ7; 4FKG; 4FKI; 4FKJ; 4FKL; 4FKO; 4FKP; 4FKQ; 4FKR; 4FKS; 4FKT; 4FKU; 4FKV; 4FKW; 4FX3; 4GCJ; 4I3Z; 4II5; 4KD1; 4LYN; 4NJ3; 4RJ3; 5A14; 5CYI; 5D1J
 15.3%
4 PYGL P06737 Glycogen phosphorylase, liver form hsa00500; hsa01100; hsa04217; hsa04910; hsa04922; hsa04931 1EM6; 1EXV; 1FA9; 1FC0; 1L5Q; 1L5R; 1L5S; 1L7X; 1XOI; 2ATI; 2QLL; 2ZB2; 3CEH; 3CEJ; 3CEM; 3DD1; 3DDS; 3DDW 14.7%
5 CCNA2 P20248 Cyclin-A2 hsa04110; hsa04152; hsa04218; hsa04914; hsa05161; hsa05165; hsa05169; hsa05203 13.9%
6 PLA2G1B P04054 Phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1YSK; 3ELO 13.8%
7 CTRB1 P17538 Chymotrypsinogen B hsa04972; hsa04974 NA 13.8%
8 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 12.9%
9 PKIA P61925 cAMP-dependent protein kinase inhibitor alpha hsa05034 12.6%
10 HMOX1 P09601 Heme oxygenase 1 hsa00860; hsa01100; hsa04066; hsa04216; hsa04978; hsa05200; hsa05206; hsa05225; hsa05418 12.5%
11 PARP3 Q9Y6F1 Poly [ADP-ribose] polymerase 3 hsa03410; hsa04210; hsa04217 2EOC; 3C49; 3C4H; 3CE0; 3FHB; 4GV0; 4GV2; 4GV4; 4L6Z; 4L70; 4L7L; 4L7N; 4L7O; 4L7P; 4L7R; 4L7U 12.5%
12 CTSF Q9UBX1 Cathepsin F hsa04142; hsa04210 1D5U; 1M6D 11.7%
13 FKBP1A P62942 Peptidyl-prolyl cis-trans isomerase FKBP1A NA 11.6%
14 CRBN Q96SW2 Protein cereblon NA 4M91; 4TZ4 11.4%
15 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 11.4%
16 TRPV1 Q8NER1 Transient receptor potential cation channel subfamily V member 1 hsa04080; hsa04750 NA 11.4%
17 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217 11.3%
18 CA2 P00918 Carbonic anhydrase 2 hsa00910; hsa04964; hsa04966; hsa04971; hsa04972; hsa04976
12CA; 1A42; 1AM6; 1AVN; 1BCD; 1BIC; 1BN1; 1BN3; 1BN4; 1BNM; 1BNN; 1BNQ; 1BNT; 1BNU; 1BNV; 1BNW; 1BV3; 1CA2; 1CA3; 1CAH; 1CAI; 1CAJ; 1CAK; 1CAL; 1CAM; 1CAN; 1CAO; 1CAY; 1CAZ; 1CCS; 1CCT; 1CCU; 1CIL; 1CIM; 1CIN; 1CNB; 1CNC; 1CNG; 1CNH; 1CNI; 1CNJ; 1CNK; 1CNW; 1CNX; 1CNY; 1CRA; 1CVA; 1CVB; 1CVC; 1CVD; 1CVE; 1CVF; 1CVH; 1DCA; 1DCB; 1EOU; 1F2W; 1FQL; 1FQM; 1FQN; 1FQR; 1FR4; 1FR7; 1FSN; 1FSQ; 1FSR; 1G0E; 1G0F; 1G1D; 1G3Z; 1G45; 1G46; 1G48; 1G4J; 1G4O; 1G52; 1G53; 1G54; 1H4N; 1H9N; 1H9Q; 1HCA; 1HEA; 1HEB; 1HEC; 1HED; 1HVA; 1I8Z; 1I90; 1I91; 1I9L; 1I9M; 1I9N; 1I9O; 1I9P; 1I9Q; 1IF4; 1IF5; 1IF6; 1IF7; 1IF8; 1IF9; 1KWQ; 1KWR; 1LG5; 1LG6; 1LGD; 1LUG; 1LZV; 1MOO; 1MUA; 1OKL; 1OKM; 1OKN; 1OQ5; 1RAY; 1RAZ; 1RZA; 1RZB; 1RZC; 1RZD; 1RZE; 1T9N; 1TB0; 1TBT; 1TE3; 1TEQ; 1TEU; 1TG3; 1TG9; 1TH9; 1THK; 1TTM; 1UGA; 1UGB; 1UGC; 1UGD; 1UGE; 1UGF; 1UGG; 1XEG; 1XEV; 1XPZ; 1XQ0; 1YDA; 1YDB; 1YDC; 1YDD; 1YO0; 1YO1; 1YO2; 1Z9Y; 1ZE8; 1ZFK; 1ZFQ; 1ZGE; 1ZGF; 1ZH9; 1ZSA; 1ZSB; 1ZSC; 2ABE; 2AW1; 2AX2; 2CA2; 2CBA; 2CBB; 2CBC; 2CBD; 2CBE; 2EU2; 2EU3; 2EZ7; 2F14; 2FMG; 2FMZ; 2FNK; 2FNM; 2FNN; 2FOQ; 2FOS; 2FOU; 2FOV; 2GD8; 2GEH; 2H15; 2H4N; 2HD6; 2HKK; 2HL4; 2HNC; 2HOC; 2ILI; 2NNG; 2NNO; 2NNS; 2NNV; 2NWO; 2NWP; 2NWY; 2NWZ; 2NXR; 2NXS; 2NXT; 2O4Z; 2OSF; 2OSM; 2POU; 2POV; 2POW; 2Q1B; 2Q1Q; 2Q38; 2QO8; 2QOA; 2QP6; 2VVA; 2VVB; 2WD2; 2WD3; 2WEG; 2WEH; 2WEJ; 2WEO; 2X7S; 2X7T; 2X7U; 3B4F; 3BET; 3BL0; 3BL1; 3C7P; 3CA2; 3CAJ; 3CYU; 3D8W; 3D92; 3D93; 3D9Z; 3DAZ; 3DBU; 3DC3; 3DC9; 3DCC; 3DCS; 3DCW; 3DD0; 3DD8; 3DV7; 3DVB; 3DVC; 3DVD; 3EFI; 3EFT; 3F4X; 3F8E; 3FFP; 3GZ0; 3HFP; 3HKN; 3HKQ; 3HKT; 3HKU; 3HLJ; 3HS4; 3IBI; 3IBL; 3IBN; 3IBU; 3IEO; 3IGP; 3K2F; 3K34; 3K7K; 3KIG; 3KKX; 3KNE; 3KOI; 3KOK; 3KON; 3KS3; 3KWA; 3L14; 3M04; 3M14; 3M1J; 3M1K; 3M1Q; 3M1W; 3M2N; 3M2X; 3M2Y; 3M2Z; 3M3X; 3M40; 3M5E; 3M5S; 3M5T; 3M67; 3M96; 3M98; 3MHC; 3MHI; 3MHL; 3MHM; 3MHO; 3ML2; 3MMF; 3MNA; 3MNH; 3MNI; 3MNJ; 3MNK; 3MNU; 3MWO; 3MYQ; 3MZC; 3N0N; 3N2P; 3N3J; 3N4B; 3NB5; 3NI5; 3NJ9; 3OIK; 3OIL; 3OIM; 3OKU; 3OKV; 3OY0; 3OYQ; 3OYS; 3P3H; 3P3J; 3P44; 3P4V; 3P55; 3P58; 3P5A; 3P5L; 3PJJ; 3PO6; 3PYK; 3QYK; 3R16; 3R17; 3RG3; 3RG4; 3RGE; 3RJ7; 3RLD; 3RYJ; 3RYV; 3RYX; 3RYY; 3RYZ; 3RZ0; 3RZ1; 3RZ5; 3RZ7; 3RZ8; 3S71; 3S72; 3S73; 3S74; 3S75; 3S76; 3S77; 3S78; 3S8X; 3S9T; 3SAP; 3SAX; 3SBH; 3SBI; 3T5U; 3T5Z; 3T82; 3T83; 3T84; 3T85; 3TMJ; 3TVN; 3TVO; 3U3A; 3U45; 3U47; 3U7C; 3V2J; 3V2M; 3V3F; 3V3G; 3V3H; 3V3I; 3V3J; 3V5G; 3V7X; 3VBD; 3ZP9; 4BCW; 4BF1; 4BF6; 4CA2; 4CAC; 4CQ0; 4DZ7; 4DZ9; 4E3D; 4E3F; 4E3G; 4E3H; 4E49; 4E4A; 4E5Q; 4FIK; 4FL7; 4FPT; 4FRC; 4FU5; 4FVN; 4FVO; 4G0C; 4GL1; 4HBA; 4HEW; 4HEY; 4HEZ; 4HF3; 4HT0; 4IDR; 4ILX; 4ITO; 4ITP; 4IWZ; 4JS6; 4JSA; 4JSS; 4JSW; 4JSZ; 4K0S; 4K0T; 4K0Z; 4K13; 4K1Q; 4KAP; 4KNI; 4KNJ; 4KUV; 4KUW; 4KUY; 4KV0; 4L5U; 4L5V; 4L5W; 4LHI; 4LP6; 4M2R; 4M2U; 4M2V; 4M2W; 4MDG; 4MDL; 4MDM; 4MLT; 4MLX; 4MO8; 4MTY; 4N0X; 4N16; 4PQ7; 4PXX; 4PYX; 4PYY; 4PZH; 4Q06; 4Q07; 4Q08; 4Q09; 4Q49; 4Q6D; 4Q6E; 4Q78; 4Q7P; 4Q7S; 4Q7V; 4Q7W; 4Q81; 4Q83; 4Q87; 4Q8X; 4Q8Y; 4Q8Z; 4Q90; 4Q99; 4Q9Y; 4QEF; 4QIY; 4QJM; 4QK1; 4QK2; 4QK3; 4QSA; 4QSB; 4QSI; 4QTL; 4QY3; 4R59; 4R5A; 4R5B; 4RFC; 4RFD; 4RH2; 4RIU; 4RIV; 4RN4; 4RUX; 4RUY; 4RUZ; 4WL4; 4WW6; 4XE1; 4Y0J; 4YGJ; 4YGK; 4YGL; 4YGN; 4YWP; 4Z0Q; 4Z1E; 4Z1J; 4Z1K; 4Z1N; 4ZAO; 4ZWI; 4ZWX; 4ZWY; 4ZWZ; 4ZX0; 4ZX1; 5AMD; 5AMG; 5AML; 5BNL; 5BRU; 5BRV; 5BRW; 5BYI; 5CA2; 5CAC; 5CLU; 5E2R; 6CA2; 7CA2; 8CA2; 9CA2
 11.3%
19 EDNRA P25101 Endothelin-1 receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04270; hsa04924; hsa05200 NA 11.3%
20 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 11.0%


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Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.