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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: DB03305
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB03305 N5-Iminoethyl-L-Ornithine Thumb

1 known interactions (targets) of input drug (DB03305): N5-Iminoethyl-L-Ornithine
No. Gene UniProt ID Protein Name Pathway PDB
1 NOS3 P29474 Nitric oxide synthase, endothelial hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418 1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P

20 predicted interactions (targets) of input drug (DB03305): N5-Iminoethyl-L-Ornithine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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 39.5%
2 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI 24.0%
3 IFNG P01579 Interferon gamma hsa03050; hsa04060; hsa04066; hsa04217; hsa04350; hsa04380; hsa04612; hsa04630; hsa04650; hsa04657; hsa04658; hsa04659; hsa04660; hsa04940; hsa05132; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05162; hsa05164; hsa05168; hsa05169; hsa05200; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05418 1EKU; 1FG9; 1FYH; 1HIG; 3BES 16.9%
4 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 14.8%
5 CYP1A2 P05177 Cytochrome P450 1A2 hsa00140; hsa00232; hsa00380; hsa00591; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 2HI4 12.9%
6 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 12.8%
7 CACNA1C Q13936 Voltage-dependent L-type calcium channel subunit alpha-1C hsa04010; hsa04020; hsa04022; hsa04024; hsa04260; hsa04261; hsa04270; hsa04713; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04742; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 1T0J; 2BE6; 2F3Y; 2F3Z; 2LQC; 3G43; 3OXQ 11.8%
8 PDGFRA P16234 Platelet-derived growth factor receptor alpha hsa01521; hsa04010; hsa04014; hsa04015; hsa04020; hsa04072; hsa04144; hsa04151; hsa04510; hsa04540; hsa04630; hsa04810; hsa05163; hsa05166; hsa05200; hsa05206; hsa05214; hsa05215; hsa05218; hsa05230; hsa05231 1GQ5 11.6%
9 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032 11.6%
10 REN P00797 Renin hsa04614; hsa04924 11.5%
11 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA 11.3%
12 PDGFRB P09619 Platelet-derived growth factor receptor beta hsa01521; hsa04010; hsa04014; hsa04015; hsa04020; hsa04072; hsa04151; hsa04510; hsa04540; hsa04630; hsa04810; hsa05165; hsa05166; hsa05200; hsa05206; hsa05214; hsa05215; hsa05218; hsa05230; hsa05231 1GQ5; 1H9O; 1LWP; 1SHA; 2L6W; 2PLD; 2PLE; 3MJG 11.2%
13 LTA4H P09960 Leukotriene A-4 hydrolase hsa00590; hsa01100 11.2%
14 GATM P50440 Glycine amidinotransferase, mitochondrial hsa00260; hsa00330; hsa01100 1JDW; 1JDX; 2JDW; 2JDX; 3JDW; 4JDW; 5JDW; 6JDW; 7JDW; 8JDW; 9JDW 11.1%
15 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 11.1%
16 IMPDH2 P12268 Inosine-5'-monophosphate dehydrogenase 2 hsa00230; hsa00983; hsa01100 1B3O; 1NF7; 1NFB 11.0%
17 DHFRL1 Q86XF0 Dihydrofolate reductase, mitochondrial hsa00670; hsa00790; hsa01100; hsa01523 NA 11.0%
18 PADI4 Q9UM07 Protein-arginine deiminase type-4 NA 1WD8; 1WD9; 1WDA; 2DEW; 2DEX; 2DEY; 2DW5; 3APM; 3APN; 3B1T; 3B1U; 4DKT; 4X8C; 4X8G 10.9%
19 PAH P00439 Phenylalanine-4-hydroxylase hsa00360; hsa00400; hsa00790; hsa01100; hsa01230 1DMW; 1J8T; 1J8U; 1KW0; 1LRM; 1MMK; 1MMT; 1PAH; 1TDW; 1TG2; 2PAH; 3PAH; 4ANP; 4PAH; 5PAH; 6PAH 10.7%
20 PPAT Q06203 Amidophosphoribosyltransferase hsa00230; hsa00250; hsa01100 NA 10.6%


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.


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.