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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: DB01776
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB01776 M-Cresol Thumb


1 known interactions (targets) of input drug (DB01776): M-Cresol
No. Gene UniProt ID Protein Name Pathway PDB
1 INS P01308 Insulin hsa04010; hsa04014; hsa04015; hsa04022; hsa04066; hsa04068; hsa04072; hsa04114; hsa04140; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04810; hsa04910; hsa04911; hsa04913; hsa04914; hsa04917; hsa04923; hsa04930; hsa04931; hsa04932; hsa04940; hsa04950; hsa04960; hsa05215
1A7F; 1AI0; 1AIY; 1B9E; 1BEN; 1EFE; 1EV3; 1EV6; 1EVR; 1FU2; 1FUB; 1G7A; 1G7B; 1GUJ; 1HIQ; 1HIS; 1HIT; 1HLS; 1HTV; 1HUI; 1IOG; 1IOH; 1J73; 1JCA; 1JCO; 1JK8; 1K3M; 1KMF; 1LKQ; 1LPH; 1MHI; 1MHJ; 1MSO; 1OS3; 1OS4; 1Q4V; 1QIY; 1QIZ; 1QJ0; 1RWE; 1SF1; 1SJT; 1SJU; 1T0C; 1T1K; 1T1P; 1T1Q; 1TRZ; 1TYL; 1TYM; 1UZ9; 1VKT; 1W8P; 1XDA; 1XGL; 1XW7; 1ZEG; 1ZEH; 1ZNJ; 2AIY; 2C8Q; 2C8R; 2CEU; 2G54; 2G56; 2H67; 2HH4; 2HHO; 2HIU; 2JMN; 2JUM; 2JUU; 2JUV; 2JV1; 2JZQ; 2K91; 2K9R; 2KJJ; 2KJU; 2KQP; 2KQQ; 2KXK; 2L1Y; 2L1Z; 2LGB; 2LWZ; 2M1D; 2M1E; 2M2M; 2M2N; 2M2O; 2M2P; 2MLI; 2MPG; 2MPI; 2MVC; 2MVD; 2OLY; 2OLZ; 2OM0; 2OM1; 2OMG; 2OMH; 2OMI; 2OMQ; 2QIU; 2R34; 2R35; 2R36; 2RN5; 2VJZ; 2VK0; 2W44; 2WBY; 2WC0; 2WRU; 2WRV; 2WRW; 2WRX; 2WS0; 2WS1; 2WS4; 2WS6; 2WS7; 3AIY; 3BXQ; 3E7Y; 3E7Z; 3EXX; 3FQ9; 3HYD; 3I3Z; 3I40; 3ILG; 3INC; 3IR0; 3JSD; 3KQ6; 3P2X; 3P33; 3Q6E; 3ROV; 3TT8; 3U4N; 3UTQ; 3UTS; 3UTT; 3V19; 3V1G; 3W11; 3W12; 3W13; 3W7Y; 3W7Z; 3W80; 3ZI3; 3ZQR; 3ZS2; 3ZU1; 4AIY; 4AJX; 4AJZ; 4AK0; 4AKJ; 4CXL; 4CXN; 4CY7; 4EFX; 4EWW; 4EWX; 4EWZ; 4EX0; 4EX1; 4EXX; 4EY1; 4EY9; 4EYD; 4EYN; 4EYP; 4F0N; 4F0O; 4F1A; 4F1B; 4F1C; 4F1D; 4F1F; 4F1G; 4F4T; 4F4V; 4F51; 4F8F; 4FG3; 4FKA; 4GBC; 4GBI; 4GBK; 4GBL; 4GBN; 4IUZ; 4IYD; 4IYF; 4NIB; 4OGA; 4P65; 4Q5Z; 4RXW; 4UNE; 4UNG; 4UNH; 4WDI; 4XC4; 4Y19; 4Y1A; 4Z76; 4Z77; 4Z78; 5AIY; 5CNY; 5CO2; 5CO6; 5CO9


20 predicted interactions (targets) of input drug (DB01776): M-Cresol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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
 23.4%
2 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 23.4%
3 TOP2A P11388 DNA topoisomerase 2-alpha hsa01524 1LWZ; 1ZXM; 1ZXN; 4FM9; 4R1F 22.6%
4 ADORA2A P29274 Adenosine receptor A2a hsa04015; hsa04020; hsa04024; hsa04080; hsa04270; hsa05012; hsa05034 1MMH; 1UPE; 2YDO; 2YDV; 3EML; 3PWH; 3QAK; 3REY; 3RFM; 3UZA; 3UZC; 3VG9; 3VGA; 4EIY; 4UG2; 4UHR 19.8%
5 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA 19.3%
6 HDAC6 Q9UBN7 Histone deacetylase 6 hsa05034; hsa05165; hsa05203 3C5K; 3GV4; 3PHD 18.1%
7 ACTA1 P68133 Actin, alpha skeletal muscle NA 1T44 17.8%
8 GSN P06396 Gelsolin hsa04666; hsa04810; hsa05203 17.7%
9 ABL1 P00519 Tyrosine-protein kinase ABL1 hsa04012; hsa04014; hsa04110; hsa04360; hsa04722; hsa05130; hsa05131; hsa05200; hsa05206; hsa05220; hsa05416 17.6%
10 SERPINC1 P01008 Antithrombin-III hsa04610 17.5%
11 MMP9 P14780 Matrix metalloproteinase-9 hsa01522; hsa04657; hsa04668; hsa04670; hsa04915; hsa04926; hsa05161; hsa05200; hsa05202; hsa05205; hsa05206; hsa05215; hsa05219; hsa05418 1GKC; 1GKD; 1ITV; 1L6J; 1LKG; 2OVX; 2OVZ; 2OW0; 2OW1; 2OW2; 4H1Q; 4H2E; 4H3X; 4H82; 4HMA; 4JIJ; 4JQG; 4WZV; 4XCT 17.0%
12 PPP3CA Q08209 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform hsa04010; hsa04020; hsa04022; hsa04114; hsa04218; hsa04310; hsa04360; hsa04370; hsa04380; hsa04625; hsa04650; hsa04658; hsa04659; hsa04660; hsa04662; hsa04720; hsa04724; hsa04728; hsa04921; hsa04922; hsa04924; hsa05010; hsa05014; hsa05031; hsa05152; hsa05163; hsa05166; hsa05167; hsa05170 1AUI; 1M63; 1MF8; 2JOG; 2JZI; 2P6B; 2R28; 2W73; 3LL8; 4F0Z; 4Q5U 16.4%
13 HNF4A P41235 Hepatocyte nuclear factor 4-alpha hsa04152; hsa04950 1PZL; 3CBB; 3FS1; 4B7W; 4IQR 15.6%
14 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
 15.2%
15 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217 15.0%
16 CHRFAM7A Q494W8 CHRNA7-FAM7A fusion protein NA NA 15.0%
17 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 14.4%
18 ARF1 P84077 ADP-ribosylation factor 1 hsa04072; hsa04144; hsa05110; hsa05134 1HUR; 1RE0; 1U81; 3O47; 4HMY 14.2%
19 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 14.1%
20 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 14.0%


  logl

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.