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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: DB03147
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb


26 known interactions (targets) of input drug (DB03147): Flavin adenine dinucleotide
No. Gene UniProt ID Protein Name Pathway PDB
1 CYB5R3 P00387 NADH-cytochrome b5 reductase 3 hsa00520 1M91; 1UMK
2 ACAD8 Q9UKU7 Isobutyryl-CoA dehydrogenase, mitochondrial hsa00280; hsa01100 1RX0
3 MAOA P21397 Amine oxidase [flavin-containing] A hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 1H8Q; 2BXR; 2BXS; 2Z5X; 2Z5Y
4 DAO P14920 D-amino-acid oxidase hsa00260; hsa00330; hsa00472; hsa01100; hsa04146 2DU8; 2E48; 2E49; 2E4A; 2E82; 2GNZ; 3CUK; 3G3E; 3W4I; 3W4J; 3W4K; 3ZNN; 3ZNO; 3ZNP; 3ZNQ; 4QFC; 4QFD
5 NDUFA9 Q16795 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial hsa00190; hsa01100; hsa04714; hsa04723; hsa04932; hsa05010; hsa05012; hsa05016 NA
6 TXNRD1 Q16881 Thioredoxin reductase 1, cytoplasmic hsa00450; hsa05200; hsa05225 1W1C; 2CFY; 2J3N; 2ZZ0; 2ZZB; 2ZZC; 3QFA; 3QFB
7 GFER P55789 FAD-linked sulfhydryl oxidase ALR NA 3MBG; 3O55; 3TK0; 3U2L; 3U2M; 3U5S; 4LDK
8 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA
9 ACOX1 Q15067 Peroxisomal acyl-coenzyme A oxidase 1 hsa00071; hsa00592; hsa01040; hsa01100; hsa01212; hsa03320; hsa04024; hsa04146 NA
10 XDH P47989 Xanthine dehydrogenase/oxidase hsa00230; hsa00232; hsa00983; hsa01100; hsa04146 2CKJ; 2E1Q
11 CYB5R1 Q9UHQ9 NADH-cytochrome b5 reductase 1 hsa00520 NA
12 GCDH Q92947 Glutaryl-CoA dehydrogenase, mitochondrial hsa00071; hsa00310; hsa00380; hsa01100 1SIQ; 1SIR; 2R0M; 2R0N
13 DPYD Q12882 Dihydropyrimidine dehydrogenase [NADP(+)] hsa00240; hsa00410; hsa00770; hsa00983; hsa01100 NA
14 IVD P26440 Isovaleryl-CoA dehydrogenase, mitochondrial hsa00280; hsa01100 1IVH
15 NQO1 P15559 NAD(P)H dehydrogenase [quinone] 1 hsa00130; hsa05200; hsa05225; hsa05418 1D4A; 1DXO; 1GG5; 1H66; 1H69; 1KBO; 1KBQ; 1QBG; 2F1O; 3JSX; 4CET; 4CF6
16 ERO1B Q86YB8 ERO1-like protein beta hsa04141 NA
17 IL4I1 Q96RQ9 L-amino-acid oxidase hsa00250; hsa00270; hsa00280; hsa00350; hsa00360; hsa00380; hsa00400; hsa01100 2I8H
18 FDXR P22570 NADPH:adrenodoxin oxidoreductase, mitochondrial NA NA
19 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
20 MAOB P27338 Amine oxidase [flavin-containing] B hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034
21 ACADM P11310 Medium-chain specific acyl-CoA dehydrogenase, mitochondrial hsa00071; hsa00280; hsa00410; hsa00640; hsa01100; hsa01200; hsa01212; hsa03320 1EGC; 1EGD; 1EGE; 1T9G; 2A1T; 4P13
22 GSR P00390 Glutathione reductase, mitochondrial hsa00480; hsa04918
23 POR P16435 NADPH--cytochrome P450 reductase NA 1B1C; 3FJO; 3QE2; 3QFC; 3QFR; 3QFS; 3QFT
24 ACADS P16219 Short-chain specific acyl-CoA dehydrogenase, mitochondrial hsa00071; hsa00280; hsa00650; hsa01100; hsa01200; hsa01212 2VIG
25 AIFM1 O95831 Apoptosis-inducing factor 1, mitochondrial hsa04210; hsa04217 1M6I; 4BUR; 4BV6; 4FDC; 4LII
26 DLD P09622 Dihydrolipoyl dehydrogenase, mitochondrial hsa00010; hsa00020; hsa00260; hsa00280; hsa00620; hsa00630; hsa00640; hsa01100; hsa01200 1ZMC; 1ZMD; 1ZY8; 2F5Z; 3RNM


20 predicted interactions (targets) of input drug (DB03147): Flavin adenine dinucleotide
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 54.9%
2 MET P08581 Hepatocyte growth factor receptor hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04360; hsa04510; hsa04520; hsa05100; hsa05120; hsa05144; hsa05200; hsa05202; hsa05205; hsa05206; hsa05211; hsa05218; hsa05225; hsa05226; hsa05230 44.6%
3 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 39.8%
4 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 33.7%
5 ADH1C P00326 Alcohol dehydrogenase 1C hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1DDA; 1HT0; 1U3W 32.8%
6 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 32.6%
7 ADH5 P11766 Alcohol dehydrogenase class-3 hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa01200; hsa05204 1M6H; 1M6W; 1MA0; 1MC5; 1MP0; 1TEH; 2FZE; 2FZW; 3QJ5 31.8%
8 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 31.6%
9 DHFR P00374 Dihydrofolate reductase hsa00670; hsa00790; hsa01100; hsa01523 31.2%
10 EGFR P00533 Epidermal growth factor receptor hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04068; hsa04072; hsa04144; hsa04151; hsa04510; hsa04520; hsa04540; hsa04630; hsa04810; hsa04912; hsa04915; hsa04921; hsa04926; hsa04928; hsa04934; hsa05120; hsa05160; hsa05163; hsa05165; hsa05200; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 30.9%
11 LCT P09848 Lactase-phlorizin hydrolase hsa00052; hsa01100; hsa04973 NA 30.1%
12 AKR1C1 Q04828 Aldo-keto reductase family 1 member C1 hsa00140; hsa00980 1MRQ; 3C3U; 3GUG; 3NTY 29.7%
13 MTAP Q13126 S-methyl-5'-thioadenosine phosphorylase hsa00270; hsa01100 1CB0; 1CG6; 1K27; 1SD1; 1SD2; 3LN5; 3OZC; 3OZD; 3OZE 29.3%
14 CYP2A6 P11509 Cytochrome P450 2A6 hsa00232; hsa00830; hsa00980; hsa00982; hsa00983; hsa01100; hsa05204 1Z10; 1Z11; 2FDU; 2FDV; 2FDW; 2FDY; 3EBS; 3T3Q; 3T3R; 4EJJ; 4RUI 28.8%
15 PNPO Q9NVS9 Pyridoxine-5'-phosphate oxidase hsa00750; hsa01100 1NRG; 3HY8 28.7%
16 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 28.5%
17 RXRB P28702 Retinoic acid receptor RXR-beta hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 1H9U; 1UHL 28.5%
18 GUCY1A2 P33402 Guanylate cyclase soluble subunit alpha-2 hsa00230; hsa04022; hsa04270; hsa04540; hsa04611; hsa04713; hsa04730; hsa04921; hsa04924; hsa04970 NA 27.8%
19 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 27.3%
20 NDUFS4 O43181 NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial hsa00190; hsa01100; hsa04714; hsa04723; hsa04932; hsa05010; hsa05012; hsa05016 NA 26.5%


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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.