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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: DB00321
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00321 Amitriptyline Thumb


35 known interactions (targets) of input drug (DB00321): Amitriptyline
No. Gene UniProt ID Protein Name Pathway PDB
1 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE
2 OPRD1 P41143 Delta-type opioid receptor hsa04022; hsa04071; hsa04080 1OZC; 2IQM; 4N6H; 4RWA; 4RWD
3 OPRK1 P41145 Kappa-type opioid receptor hsa04080 2A0D; 2IQN; 4DJH
4 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA
5 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA
6 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA
7 HTR1B P28222 5-hydroxytryptamine receptor 1B hsa04024; hsa04080; hsa04726; hsa04742 2G1X; 4IAQ; 4IAR
8 NTRK2 Q16620 BDNF/NT-3 growth factors receptor hsa04010; hsa04014; hsa04151; hsa04722; hsa05034 1HCF; 1WWB; 2MFQ; 4ASZ; 4AT3; 4AT4; 4AT5
9 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA
10 SIGMAR1 Q99720 Sigma non-opioid intracellular receptor 1 NA NA
11 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA
12 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA
13 HRH4 Q9H3N8 Histamine H4 receptor hsa04080 NA
14 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA
15 CHRM2 P08172 Muscarinic acetylcholine receptor M2 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 1LUB; 3UON; 4MQS; 4MQT
16 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA
17 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ
18 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA
19 HTR7 P34969 5-hydroxytryptamine receptor 7 hsa04014; hsa04020; hsa04080; hsa04726 NA
20 KCNQ3 O43525 Potassium voltage-gated channel subfamily KQT member 3 hsa04725 NA
21 NTRK1 P04629 High affinity nerve growth factor receptor hsa04010; hsa04014; hsa04151; hsa04210; hsa04722; hsa04750; hsa05200; hsa05202; hsa05216; hsa05230 1HE7; 1SHC; 1WWA; 1WWW; 2IFG; 4AOJ; 4CRP; 4F0I; 4GT5; 4PMM; 4PMP; 4PMS; 4PMT; 4YNE; 4YPS
22 KCNA1 Q09470 Potassium voltage-gated channel subfamily A member 1 NA 2AFL
23 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA
24 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA
25 KCND3 Q9UK17 Potassium voltage-gated channel subfamily D member 3 NA 1S1G; 2NZ0
26 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA
27 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA
28 HTR1D P28221 5-hydroxytryptamine receptor 1D hsa04024; hsa04080; hsa04726; hsa04742 NA
29 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA
30 KCNQ2 O43526 Potassium voltage-gated channel subfamily KQT member 2 hsa04725 NA
31 KCND2 Q9NZV8 Potassium voltage-gated channel subfamily D member 2 hsa04726 NA
32 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW
33 OPRM1 P35372 Mu-type opioid receptor hsa04080; hsa04915; hsa05032 NA
34 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX
35 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF


20 predicted interactions (targets) of input drug (DB00321): Amitriptyline
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 91.6%
2 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 88.7%
3 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 83.4%
4 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 82.8%
5 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 82.7%
6 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 82.6%
7 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 78.7%
8 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 77.9%
9 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 75.0%
10 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 74.1%
11 HTR1E P28566 5-hydroxytryptamine receptor 1E hsa04024; hsa04080; hsa04726; hsa04742 NA 73.9%
12 HTR1F P30939 5-hydroxytryptamine receptor 1F hsa04024; hsa04080; hsa04726; hsa04742 NA 68.3%
13 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 68.0%
14 SLC18A2 Q05940 Synaptic vesicular amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 58.2%
15 ORM2 P19652 Alpha-1-acid glycoprotein 2 NA 3APU; 3APV; 3APW; 3APX 54.8%
16 HTR4 Q13639 5-hydroxytryptamine receptor 4 hsa04020; hsa04024; hsa04080; hsa04726 NA 52.8%
17 PGRMC1 O00264 Membrane-associated progesterone receptor component 1 NA NA 52.1%
18 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 51.9%
19 HTR3B O95264 5-hydroxytryptamine receptor 3B hsa04726; hsa04742 NA 51.4%
20 HTR5A P47898 5-hydroxytryptamine receptor 5A hsa04020; hsa04080; hsa04726 NA 51.3%


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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.