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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: DB02108
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB02108 2-Aminoethanimidic Acid Thumb


1 known interactions (targets) of input drug (DB02108): 2-Aminoethanimidic Acid
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 (DB02108): 2-Aminoethanimidic Acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 FOLH1 Q04609 Glutamate carboxypeptidase 2 hsa00250; hsa01100; hsa04977 15.0%
2 SLC7A11 Q9UPY5 Cystine/glutamate transporter hsa04216 NA 14.9%
3 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 14.4%
4 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 14.2%
5 PLA2G1B P04054 Phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1YSK; 3ELO 14.1%
6 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 13.7%
7 DPP4 P27487 Dipeptidyl peptidase 4 hsa04974 13.6%
8 RARG P13631 Retinoic acid receptor gamma NA 1EXA; 1EXX; 1FCX; 1FCY; 1FCZ; 1FD0; 2LBD; 3LBD; 4LBD 13.0%
9 PLA2G2E Q9NZK7 Group IIE secretory phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 NA 12.3%
10 ITGB3 P05106 Integrin beta-3 hsa04015; hsa04145; hsa04151; hsa04380; hsa04510; hsa04512; hsa04611; hsa04640; hsa04810; hsa04919; hsa05163; hsa05165; hsa05205; hsa05206; hsa05410; hsa05412; hsa05414; hsa05418 11.7%
11 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
 11.6%
12 XDH P47989 Xanthine dehydrogenase/oxidase hsa00230; hsa00232; hsa00983; hsa01100; hsa04146 2CKJ; 2E1Q 11.6%
13 UBA1 P22314 Ubiquitin-like modifier-activating enzyme 1 hsa04120; hsa05012 4P22 11.5%
14 CHUK O15111 Inhibitor of nuclear factor kappa-B kinase subunit alpha hsa01523; hsa04010; hsa04014; hsa04062; hsa04064; hsa04068; hsa04150; hsa04151; hsa04210; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04920; hsa05120; hsa05131; hsa05142; hsa05145; hsa05160; hsa05161; hsa05162; hsa05163; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05418 3BRT 11.2%
15 ACAT1 P24752 Acetyl-CoA acetyltransferase, mitochondrial hsa00071; hsa00072; hsa00280; hsa00310; hsa00380; hsa00620; hsa00630; hsa00640; hsa00650; hsa00900; hsa01100; hsa01200; hsa01212 2F2S; 2IB7; 2IB8; 2IB9; 2IBU; 2IBW; 2IBY 11.1%
16 CHRNB2 P17787 Neuronal acetylcholine receptor subunit beta-2 hsa04080; hsa04725; hsa05033 2GVT; 2K58; 2K59; 2KSR; 2LM2 11.0%
17 LCK P06239 Tyrosine-protein kinase Lck hsa04064; hsa04380; hsa04650; hsa04658; hsa04659; hsa04660; hsa05166; hsa05340 11.0%
18 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 11.0%
19 PTGFR P43088 Prostaglandin F2-alpha receptor hsa04020; hsa04072; hsa04080 NA 10.9%
20 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 10.8%


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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.