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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: DB03385
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03385 4-Methylimidazole Thumb


3 known interactions (targets) of input drug (DB03385): 4-Methylimidazole
No. Gene UniProt ID Protein Name Pathway PDB
1 CA5A P35218 Carbonic anhydrase 5A, mitochondrial hsa00910 NA
2 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
3 MB P02144 Myoglobin NA 3RGK


20 predicted interactions (targets) of input drug (DB03385): 4-Methylimidazole
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CA1 P00915 Carbonic anhydrase 1 hsa00910 47.4%
2 CA3 P07451 Carbonic anhydrase 3 hsa00910 1Z93; 1Z97; 2HFW; 3UYN; 3UYQ 39.6%
3 CA4 P22748 Carbonic anhydrase 4 hsa00910; hsa04964 1ZNC; 3F7B; 3F7U; 3FW3 31.2%
4 CA12 O43570 Carbonic anhydrase 12 hsa00910 1JCZ; 1JD0; 4HT2; 4KP5; 4KP8; 4Q0L; 4QJ0; 4QJO; 4QJW; 4WW8 27.5%
5 CA7 P43166 Carbonic anhydrase 7 hsa00910 3MDZ; 3ML5 27.4%
6 CA9 Q16790 Carbonic anhydrase 9 hsa00910 2HKF; 3IAI; 5FL4; 5FL5; 5FL6 25.5%
7 CA14 Q9ULX7 Carbonic anhydrase 14 hsa00910 4LU3; 5CJF 25.4%
8 CA6 P23280 Carbonic anhydrase 6 hsa00910 3FE4 22.6%
9 SLC12A3 P55017 Solute carrier family 12 member 3 NA NA 20.8%
10 CA5B Q9Y2D0 Carbonic anhydrase 5B, mitochondrial hsa00910 NA 20.8%
11 SYK P43405 Tyrosine-protein kinase SYK hsa04064; hsa04072; hsa04151; hsa04380; hsa04611; hsa04625; hsa04650; hsa04662; hsa04664; hsa04666; hsa05152; hsa05167; hsa05169; hsa05203 19.9%
12 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 18.7%
13 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 18.7%
14 CA13 Q8N1Q1 Carbonic anhydrase 13 hsa00910 3CZV; 3D0N; 3DA2; 4HU1; 4KNM; 4KNN; 4QIZ; 4QJP; 4QJX; 4QSJ 18.4%
15 PRKCA P17252 Protein kinase C alpha type hsa01521; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04070; hsa04071; hsa04072; hsa04150; hsa04151; hsa04261; hsa04270; hsa04310; hsa04360; hsa04370; hsa04510; hsa04540; hsa04650; hsa04664; hsa04666; hsa04670; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04750; hsa04911; hsa04912; hsa04916; hsa04918; hsa04919; hsa04921; hsa04925; hsa04926; hsa04928; hsa04933; hsa04960; hsa04961; hsa04970; hsa04971; hsa04972; hsa05031; hsa05032; hsa05110; hsa05130; hsa05143; hsa05146; hsa05161; hsa05163; hsa05164; hsa05170; hsa05200; hsa05205; hsa05206; hsa05214; hsa05223; hsa05225; hsa05231 2ELI; 3IW4; 4DNL; 4RA4 17.3%
16 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 16.1%
17 NOS2 P35228 Nitric oxide synthase, inducible hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222 1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS 15.7%
18 DCPS Q96C86 m7GpppX diphosphatase hsa03018 1ST0; 1ST4; 1XML; 1XMM; 3BL7; 3BL9; 3BLA; 4QDE; 4QDV; 4QEB 15.2%
19 SCN2B O60939 Sodium channel subunit beta-2 NA NA 15.1%
20 SCN1B Q07699 Sodium channel subunit beta-1 hsa04261 NA 14.8%


  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.