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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: DB00583
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Approved;
SmallMoleculeDrug DB00583 L-Carnitine Thumb

11 known interactions (targets) of input drug (DB00583): L-Carnitine
No. Gene UniProt ID Protein Name Pathway PDB
1 SLC25A20 O43772 Mitochondrial carnitine/acylcarnitine carrier protein hsa04714 NA
2 CROT Q9UKG9 Peroxisomal carnitine O-octanoyltransferase hsa04146 NA
3 MPO P05164 Myeloperoxidase hsa00983; hsa04145; hsa05202; hsa05221 1CXP; 1D2V; 1D5L; 1D7W; 1DNU; 1DNW; 1MHL; 1MYP; 3F9P; 3ZS0; 3ZS1; 4C1M; 4DL1; 4EJX; 5FIW
4 XDH P47989 Xanthine dehydrogenase/oxidase hsa00230; hsa00232; hsa00983; hsa01100; hsa04146 2CKJ; 2E1Q
5 SLC22A4 Q9H015 Solute carrier family 22 member 4 hsa05231 NA
6 CPT1A P50416 Carnitine O-palmitoyltransferase 1, liver isoform hsa00071; hsa01212; hsa03320; hsa04152; hsa04714; hsa04920; hsa04922; hsa04931 2LE3
7 CES1 P23141 Liver carboxylesterase 1 hsa00983; hsa01100 1MX1; 1MX5; 1MX9; 1YA4; 1YA8; 1YAH; 1YAJ; 2DQY; 2DQZ; 2DR0; 2H7C; 2HRQ; 2HRR; 3K9B; 4AB1
8 SLC25A29 Q8N8R3 Mitochondrial basic amino acids transporter hsa04714 NA
9 CRAT P43155 Carnitine O-acetyltransferase hsa04146 1NM8; 1S5O
10 SLC22A5 O76082 Solute carrier family 22 member 5 hsa05231 NA
11 CPT2 P23786 Carnitine O-palmitoyltransferase 2, mitochondrial hsa00071; hsa01212; hsa03320; hsa04714 NA

20 predicted interactions (targets) of input drug (DB00583): L-Carnitine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 45.5%
2 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 40.7%
3 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 38.4%
4 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 38.3%
5 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 33.8%
6 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 32.6%
7 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA 29.5%
8 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 27.5%
9 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 24.8%
10 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 24.6%
11 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 24.2%
12 SLCO1B3 Q9NPD5 Solute carrier organic anion transporter family member 1B3 hsa04976 NA 24.2%
13 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 24.1%
14 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD 24.0%
15 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 23.4%
16 TRPA1 O75762 Transient receptor potential cation channel subfamily A member 1 hsa04750 3J9P 23.3%
17 GLUD1 P00367 Glutamate dehydrogenase 1, mitochondrial hsa00220; hsa00250; hsa00471; hsa00910; hsa01100; hsa01200; hsa04217; hsa04964 1L1F; 1NR1 23.1%
18 GRIA1 P42261 Glutamate receptor 1 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05031; hsa05033 NA 23.0%
19 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 23.0%
20 GRIN2A Q12879 Glutamate receptor ionotropic, NMDA 2A hsa04014; hsa04015; hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa04728; hsa05010; hsa05014; hsa05030; hsa05031; hsa05033; hsa05034; hsa05322 3NFL 22.8%


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.