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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: DB08895
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB08895 Tofacitinib Thumb


4 known interactions (targets) of input drug (DB08895): Tofacitinib
No. Gene UniProt ID Protein Name Pathway PDB
1 TYK2 P29597 Non-receptor tyrosine-protein kinase TYK2 hsa04217; hsa04380; hsa04621; hsa04630; hsa04658; hsa04659; hsa05145; hsa05160; hsa05162; hsa05164; hsa05165; hsa05167; hsa05168; hsa05169 3LXN; 3LXP; 3NYX; 3NZ0; 3ZON; 4GFO; 4GIH; 4GII; 4GJ2; 4GJ3; 4GVJ; 4OLI; 4PO6; 4PY1; 4WOV; 5C01; 5C03
2 JAK2 O60674 Tyrosine-protein kinase JAK2 hsa01521; hsa04062; hsa04151; hsa04217; hsa04550; hsa04630; hsa04658; hsa04659; hsa04725; hsa04917; hsa04920; hsa04933; hsa05140; hsa05145; hsa05152; hsa05162; hsa05164; hsa05167; hsa05168; hsa05200
3 JAK3 P52333 Tyrosine-protein kinase JAK3 hsa04062; hsa04151; hsa04217; hsa04550; hsa04630; hsa04658; hsa04659; hsa05162; hsa05166; hsa05169; hsa05200; hsa05203; hsa05223; hsa05340 3LXK; 3FUP; 3EYG; 1YVJ; 3LXK; 3LXL; 3PJC; 3ZC6; 3ZEP; 4HVD; 4HVG; 4HVH; 4HVI; 4I6Q; 4QPS; 4QT1; 4RIO
4 JAK1 P23458 Tyrosine-protein kinase JAK1 hsa01521; hsa04151; hsa04217; hsa04380; hsa04550; hsa04621; hsa04630; hsa04658; hsa04659; hsa05140; hsa05145; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05200; hsa05203; hsa05212 3EYG; 3LXN; 3FUP; 3EYG; 3EYH; 4E4L; 4E4N; 4E5W; 4EHZ; 4EI4; 4FK6; 4GS0; 4I5C; 4IVB; 4IVC; 4IVD; 4K6Z; 4K77; 4L00; 4L01


20 predicted interactions (targets) of input drug (DB08895): Tofacitinib
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 34.4%
2 DAPK3 O43293 Death-associated protein kinase 3 hsa04140; hsa05200; hsa05219 1YRP; 2J90; 3BHY; 3BQR; 5A6N; 5A6O 33.9%
3 PKIA P61925 cAMP-dependent protein kinase inhibitor alpha hsa05034 28.5%
4 PRKACA P17612 cAMP-dependent protein kinase catalytic subunit alpha hsa01522; hsa04010; hsa04014; hsa04020; hsa04024; hsa04062; hsa04114; hsa04140; hsa04211; hsa04213; hsa04261; hsa04270; hsa04310; hsa04340; hsa04371; hsa04530; hsa04540; hsa04611; hsa04713; hsa04714; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04740; hsa04742; hsa04750; hsa04910; hsa04911; hsa04912; hsa04913; hsa04914; hsa04915; hsa04916; hsa04918; hsa04919; hsa04921; hsa04922; hsa04923; hsa04924; hsa04925; hsa04926; hsa04927; hsa04928; hsa04934; hsa04961; hsa04962; hsa04970; hsa04971; hsa04976; hsa05012; hsa05020; hsa05030; hsa05031; hsa05032; hsa05034; hsa05110; hsa05146; hsa05163; hsa05165; hsa05166; hsa05169; hsa05200; hsa05203; hsa05205; hsa05414 27.8%
5 PTK2B Q14289 Protein-tyrosine kinase 2-beta hsa04020; hsa04062; hsa04072; hsa04650; hsa04670; hsa04912; hsa05161; hsa05163; hsa05170 2FO6; 2LK4; 3CC6; 3ET7; 3FZO; 3FZP; 3FZR; 3FZS; 3FZT; 3GM1; 3GM2; 3GM3; 3H3C; 3U3F; 4EKU; 4H1J; 4H1M; 4R32 21.4%
6 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 20.8%
7 BACE1 P56817 Beta-secretase 1 hsa05010
1FKN; 1M4H; 1PY1; 1SGZ; 1TQF; 1UJJ; 1UJK; 1W50; 1W51; 1XN2; 1XN3; 1XS7; 1YM2; 1YM4; 2B8L; 2B8V; 2F3E; 2F3F; 2FDP; 2G94; 2HIZ; 2HM1; 2IQG; 2IRZ; 2IS0; 2NTR; 2OAH; 2OF0; 2OHK; 2OHL; 2OHM; 2OHN; 2OHP; 2OHQ; 2OHR; 2OHS; 2OHT; 2OHU; 2P4J; 2P83; 2P8H; 2PH6; 2PH8; 2Q11; 2Q15; 2QK5; 2QMD; 2QMF; 2QMG; 2QP8; 2QU2; 2QU3; 2QZK; 2QZL; 2VA5; 2VA6; 2VA7; 2VIE; 2VIJ; 2VIY; 2VIZ; 2VJ6; 2VJ7; 2VJ9; 2VKM; 2VNM; 2VNN; 2WEZ; 2WF0; 2WF1; 2WF2; 2WF3; 2WF4; 2WJO; 2XFI; 2XFJ; 2XFK; 2ZDZ; 2ZE1; 2ZHR; 2ZHS; 2ZHT; 2ZHU; 2ZHV; 2ZJH; 2ZJI; 2ZJJ; 2ZJK; 2ZJL; 2ZJM; 2ZJN; 3BRA; 3BUF; 3BUG; 3BUH; 3CIB; 3CIC; 3CID; 3CKP; 3CKR; 3DM6; 3DUY; 3DV1; 3DV5; 3EXO; 3FKT; 3H0B; 3HVG; 3HW1; 3I25; 3IGB; 3IN3; 3IN4; 3IND; 3INE; 3INF; 3INH; 3IVH; 3IVI; 3IXJ; 3IXK; 3K5C; 3K5D; 3K5F; 3K5G; 3KMX; 3KMY; 3KN0; 3KYR; 3L38; 3L3A; 3L58; 3L59; 3L5B; 3L5C; 3L5D; 3L5E; 3L5F; 3LHG; 3LNK; 3LPI; 3LPJ; 3LPK; 3MSJ; 3MSK; 3MSL; 3N4L; 3NSH; 3OHF; 3OHH; 3OOZ; 3PI5; 3QBH; 3QI1; 3R1G; 3R2F; 3RSV; 3RSX; 3RTH; 3RTM; 3RTN; 3RU1; 3RVI; 3S2O; 3S7L; 3S7M; 3SKF; 3SKG; 3TPJ; 3TPL; 3TPP; 3TPR; 3U6A; 3UDH; 3UDJ; 3UDK; 3UDM; 3UDN; 3UDP; 3UDQ; 3UDR; 3UDY; 3UFL; 3UQP; 3UQR; 3UQU; 3UQW; 3UQX; 3VEU; 3VF3; 3VG1; 3VV6; 3VV7; 3VV8; 3WB4; 3WB5; 3ZMG; 3ZOV; 4ACU; 4ACX; 4AZY; 4B00; 4B05; 4B0Q; 4B1C; 4B1D; 4B1E; 4B70; 4B72; 4B77; 4B78; 4BEK; 4BFD; 4D83; 4D85; 4D88; 4D89; 4D8C; 4DH6; 4DI2; 4DJU; 4DJV; 4DJW; 4DJX; 4DJY; 4DPF; 4DPI; 4DUS; 4DV9; 4DVF; 4EWO; 4EXG; 4FCO; 4FGX; 4FM7; 4FM8; 4FRI; 4FRJ; 4FRK; 4FRS; 4FS4; 4FSE; 4FSL; 4GID; 4GMI; 4H1E; 4H3F; 4H3G; 4H3I; 4H3J; 4HA5; 4HZT; 4I0D; 4I0E; 4I0F; 4I0G; 4I0H; 4I0I; 4I0J; 4I0Z; 4I10; 4I11; 4I12; 4I1C; 4IVS; 4IVT; 4J0P; 4J0T; 4J0V; 4J0Y; 4J0Z; 4J17; 4J1C; 4J1E; 4J1F; 4J1H; 4J1I; 4J1K; 4JOO; 4JP9; 4JPC; 4JPE; 4K8S; 4K9H; 4KE0; 4KE1; 4L7G; 4L7H; 4L7J; 4LC7; 4LXA; 4LXK; 4LXM; 4N00; 4PZW; 4PZX; 4R5N; 4R8Y; 4R91; 4R92; 4R93; 4R95; 4RCD; 4RCE; 4RCF; 4RRN; 4RRO; 4RRS; 4TRW; 4TRY; 4TRZ; 4WTU; 4WY1; 4WY6; 4X2L; 4X7I; 4XKX; 4XXS; 4YBI; 4ZPE; 4ZPF; 4ZPG; 4ZSM; 4ZSP; 4ZSQ; 4ZSR; 5CLM
 20.6%
8 PLA2G2E Q9NZK7 Group IIE secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA 20.5%
9 GSK3B P49841 Glycogen synthase kinase-3 beta hsa01521; hsa04012; hsa04062; hsa04110; hsa04150; hsa04151; hsa04310; hsa04340; hsa04360; hsa04390; hsa04510; hsa04550; hsa04657; hsa04660; hsa04662; hsa04722; hsa04728; hsa04910; hsa04916; hsa04917; hsa04919; hsa04931; hsa04932; hsa04934; hsa05010; hsa05160; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05169; hsa05200; hsa05210; hsa05213; hsa05215; hsa05217; hsa05224; hsa05225; hsa05226 20.1%
10 PMP2 P02689 Myelin P2 protein NA 2WUT; 3NR3; 4A1H; 4A1Y; 4A8Z; 4BVM; 4D6A; 4D6B 19.9%
11 YARS P54577 Tyrosine--tRNA ligase, cytoplasmic hsa00970 1N3L; 1NTG; 1Q11; 4Q93; 4QBT 19.3%
12 REN P00797 Renin hsa04614; hsa04924 19.2%
13 MAPK10 P53779 Mitogen-activated protein kinase 10 hsa01522; hsa04010; hsa04012; hsa04014; hsa04024; hsa04068; hsa04071; hsa04137; hsa04140; hsa04141; hsa04210; hsa04215; hsa04217; hsa04310; hsa04380; hsa04510; hsa04530; hsa04620; hsa04621; hsa04622; hsa04625; hsa04657; hsa04658; hsa04659; hsa04664; hsa04668; hsa04722; hsa04723; hsa04728; hsa04750; hsa04910; hsa04912; hsa04914; hsa04917; hsa04920; hsa04926; hsa04930; hsa04931; hsa04932; hsa04933; hsa05120; hsa05131; hsa05132; hsa05133; hsa05142; hsa05145; hsa05152; hsa05160; hsa05161; hsa05164; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05210; hsa05212; hsa05231; hsa05418 19.0%
14 IGHG1 P01857 Ig gamma-1 chain C region NA
1AJ7; 1AQK; 1BEY; 1D5B; 1D5I; 1D6V; 1DFB; 1DN2; 1E4K; 1FC1; 1FC2; 1FCC; 1GAF; 1H3T; 1H3U; 1H3V; 1H3W; 1H3X; 1H3Y; 1HKL; 1HZH; 1I7Z; 1L6X; 1N7M; 1OP3; 1OQO; 1OQX; 1T83; 1T89; 1VGE; 2DTS; 2GJ7; 2I5Y; 2IWG; 2J6E; 2JB5; 2JB6; 2O5X; 2O5Y; 2O5Z; 2OSL; 2QAD; 2QL1; 2QQK; 2QQL; 2QQN; 2QR0; 2R56; 2RCJ; 2RCS; 2VXQ; 2WAH; 3AGV; 3AVE; 3AY4; 3B2U; 3B2V; 3BDY; 3BE1; 3BKY; 3BN9; 3BQU; 3C08; 3C09; 3C2S; 3CFJ; 3CFK; 3CSY; 3D0L; 3D0V; 3D6G; 3D85; 3DJ9; 3DNK; 3DO3; 3DRO; 3DRQ; 3DVG; 3DVN; 3EYF; 3EYO; 3EYQ; 3FJT; 3O11; 3RY6; 3S7G; 3SGJ; 3SGK; 3TV3; 3TWC; 3TYG; 3U0W; 3U7W; 3U7Y; 3V7M; 3V8C; 3V95; 3WJJ; 3WJL; 3WKN; 3WN5; 4ACP; 4B7I; 4BM7; 4BSV; 4BSW; 4BYH; 4CDH; 4D9Q; 4D9R; 4DAG; 4DZ8; 4EOW; 4J12; 4KU1; 4LLD; 4LLM; 4LLQ; 4N0U; 4NQS; 4NQT; 4NQU; 4NWT; 4NWU; 4O4Y; 4O51; 4Q6Y; 4Q74; 4Q7D; 4W4N; 4W4O; 4WI2; 4WI3; 4WI4; 4WI5; 4WI6; 4WI7; 4WI8; 4WI9; 4X4M; 4X98; 4X99; 4ZNE; 5BW7
 18.2%
15 HSP90AA1 P07900 Heat shock protein HSP 90-alpha hsa04141; hsa04151; hsa04217; hsa04612; hsa04621; hsa04657; hsa04659; hsa04914; hsa04915; hsa05200; hsa05215; hsa05418
1BYQ; 1OSF; 1UY6; 1UY7; 1UY8; 1UY9; 1UYC; 1UYD; 1UYE; 1UYF; 1UYG; 1UYH; 1UYI; 1UYK; 1UYL; 1YC1; 1YC3; 1YC4; 1YER; 1YES; 1YET; 2BSM; 2BT0; 2BUG; 2BYH; 2BYI; 2BZ5; 2C2L; 2CCS; 2CCT; 2CCU; 2CDD; 2FWY; 2FWZ; 2H55; 2JJC; 2K5B; 2QF6; 2QFO; 2QG0; 2QG2; 2UWD; 2VCI; 2VCJ; 2WI1; 2WI2; 2WI3; 2WI4; 2WI5; 2WI6; 2WI7; 2XAB; 2XDK; 2XDL; 2XDS; 2XDU; 2XDX; 2XHR; 2XHT; 2XHX; 2XJG; 2XJJ; 2XJX; 2XK2; 2YE2; 2YE3; 2YE4; 2YE5; 2YE6; 2YE7; 2YE8; 2YE9; 2YEA; 2YEB; 2YEC; 2YED; 2YEE; 2YEF; 2YEG; 2YEH; 2YEI; 2YEJ; 2YI0; 2YI5; 2YI6; 2YI7; 2YJW; 2YJX; 2YK2; 2YK9; 2YKB; 2YKC; 2YKE; 2YKI; 2YKJ; 3B24; 3B25; 3B26; 3B27; 3B28; 3BM9; 3BMY; 3D0B; 3EKO; 3EKR; 3FT5; 3FT8; 3HEK; 3HHU; 3HYY; 3HYZ; 3HZ1; 3HZ5; 3INW; 3INX; 3K97; 3K98; 3K99; 3MNR; 3O0I; 3OW6; 3OWB; 3OWD; 3Q6M; 3Q6N; 3QDD; 3QTF; 3R4M; 3R4N; 3R4O; 3R4P; 3R91; 3R92; 3RKZ; 3RLP; 3RLQ; 3RLR; 3T0H; 3T0Z; 3T10; 3T1K; 3T2S; 3TUH; 3VHA; 3VHC; 3VHD; 3WHA; 3WQ9; 4AIF; 4AWO; 4AWP; 4AWQ; 4B7P; 4BQJ; 4CGQ; 4CGU; 4CGV; 4CGW; 4CWF; 4CWN; 4CWO; 4CWP; 4CWQ; 4CWR; 4CWS; 4CWT; 4EEH; 4EFT; 4EFU; 4EGH; 4EGI; 4EGK; 4FCP; 4FCQ; 4FCR; 4HY6; 4JQL; 4L8Z; 4L90; 4L91; 4L93; 4L94; 4LWE; 4LWF; 4LWG; 4LWH; 4LWI; 4NH7; 4NH8; 4O04; 4O05; 4O07; 4O09; 4O0B; 4R3M; 4U93; 4W7T; 4XIP; 4XIQ; 4XIR; 4XIT
 17.8%
16 B4GALT1 P15291 Beta-1,4-galactosyltransferase 1 hsa00052; hsa00510; hsa00514; hsa00515; hsa00533; hsa00601; hsa01100 2AE7; 2AEC; 2AES; 2AGD; 2AH9; 2FY7; 2FYA; 2FYB; 3EE5; 4EE3; 4EE4; 4EE5; 4EEA; 4EEG; 4EEM; 4EEO; 4L41 17.1%
17 INSR P06213 Insulin receptor hsa04010; hsa04014; hsa04015; hsa04022; hsa04066; hsa04068; hsa04072; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04520; hsa04910; hsa04913; hsa04923; hsa04930; hsa04931; hsa04932; hsa04960 16.6%
18 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 16.2%
19 PIK3CG P48736 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform hsa00562; hsa04022; hsa04062; hsa04072; hsa04151; hsa04261; hsa04371; hsa04611; hsa04725; hsa04921; hsa05145; hsa05167 16.0%
20 BTK Q06187 Tyrosine-protein kinase BTK hsa04064; hsa04380; hsa04611; hsa04662; hsa04664; hsa05340 15.9%


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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.