Predicted Drug-Target interactions for gpcr dataset

Top-50 predictions

34 out of top-50 predictions were validated. In total, 618 validated new DTIs are known for gpcr dataset.

RankDrugTargetScoreValidatedKEGGDrugBankMatador
1 D02614 ( Denopamine ) hsa154 ( adrenoceptor beta 2 ) 0.982608 0 0 0 0
2 D02358 ( Metoprolol ) hsa154 ( adrenoceptor beta 2 ) 0.981689 1 0 1 0
3 D04625 ( Isoetharine ) hsa154 ( adrenoceptor beta 2 ) 0.980864 1 1 1 0
4 D00760 ( Doxacurium chloride ) hsa1128 ( cholinergic receptor muscarinic 1 ) 0.977996 0 0 0 0
5 D00765 ( Rocuronium bromide ) hsa1128 ( cholinergic receptor muscarinic 1 ) 0.976455 0 0 0 0
6 D01699 ( Darifenacin hydrobromide ) hsa1128 ( cholinergic receptor muscarinic 1 ) 0.975956 1 0 1 0
7 D03654 ( Darifenacin ) hsa1128 ( cholinergic receptor muscarinic 1 ) 0.975593 1 0 1 0
8 D02147 ( Albuterol ) hsa153 ( adrenoceptor beta 1 ) 0.9739 1 0 1 1
9 D01103 ( Trospium chloride ) hsa1129 ( cholinergic receptor muscarinic 2 ) 0.973383 1 1 0 1
10 D05792 ( Salmeterol ) hsa153 ( adrenoceptor beta 1 ) 0.970721 0 0 0 0
11 D00715 ( Methscopolamine bromide ) hsa1129 ( cholinergic receptor muscarinic 2 ) 0.970697 1 1 1 0
12 D02359 ( Ritodrine ) hsa153 ( adrenoceptor beta 1 ) 0.970261 0 0 0 0
13 D00683 ( Albuterol sulfate ) hsa153 ( adrenoceptor beta 1 ) 0.970031 1 0 0 1
14 D00688 ( Terbutaline sulfate ) hsa153 ( adrenoceptor beta 1 ) 0.969168 1 0 0 1
15 D01269 ( Solifenacin succinate ) hsa1129 ( cholinergic receptor muscarinic 2 ) 0.96731 1 0 1 0
16 D01386 ( Ephedrine hydrochloride ) hsa153 ( adrenoceptor beta 1 ) 0.967098 1 1 0 0
17 D00687 ( Salmeterol xinafoate ) hsa153 ( adrenoceptor beta 1 ) 0.966978 0 0 0 0
18 D00559 ( Pramipexole hydrochloride ) hsa1813 ( dopamine receptor D2 ) 0.966258 1 1 1 0
19 D03654 ( Darifenacin ) hsa1129 ( cholinergic receptor muscarinic 2 ) 0.965872 1 0 1 0
20 D00397 ( Tropicamide ) hsa1131 ( cholinergic receptor muscarinic 3 ) 0.965068 1 1 1 0
21 D01699 ( Darifenacin hydrobromide ) hsa1129 ( cholinergic receptor muscarinic 2 ) 0.964707 1 0 1 0
22 D02250 ( Octreotide acetate ) hsa4988 ( opioid receptor mu 1 ) 0.964655 0 0 0 0
23 D04375 ( Guanabenz ) hsa151 ( adrenoceptor alpha 2B ) 0.964606 1 1 1 0
24 D01712 ( Theophylline sodium acetate ) hsa136 ( adenosine A2b receptor ) 0.964312 1 0 1 0
25 D00684 ( Bitolterol mesylate ) hsa153 ( adrenoceptor beta 1 ) 0.963452 0 0 0 0
26 D00675 ( Rizatriptan benzoate ) hsa3355 ( 5-hydroxytryptamine receptor 1F ) 0.963256 1 0 1 0
27 D01352 ( Dinoprost tromethamine ) hsa5731 ( prostaglandin E receptor 1 ) 0.963145 0 0 0 0
28 D00415 ( Zolmitriptan ) hsa3355 ( 5-hydroxytryptamine receptor 1F ) 0.962918 1 0 1 0
29 D00674 ( Naratriptan hydrochloride ) hsa3351 ( 5-hydroxytryptamine receptor 1B ) 0.962189 1 1 1 1
30 D00674 ( Naratriptan hydrochloride ) hsa3352 ( 5-hydroxytryptamine receptor 1D ) 0.962071 1 1 1 1
31 D04375 ( Guanabenz ) hsa152 ( adrenoceptor alpha 2C ) 0.961343 1 1 0 0
32 D01118 ( Profenamine hydrochloride ) hsa1129 ( cholinergic receptor muscarinic 2 ) 0.960795 1 1 1 0
33 D00525 ( Pilocarpine ) hsa1129 ( cholinergic receptor muscarinic 2 ) 0.960695 1 1 1 0
34 D02884 ( Ambuphylline ) hsa136 ( adenosine A2b receptor ) 0.959827 0 0 0 0
35 D00419 ( Misoprostol ) hsa5731 ( prostaglandin E receptor 1 ) 0.958706 0 0 0 0
36 D00540 ( Glycopyrrolate ) hsa1131 ( cholinergic receptor muscarinic 3 ) 0.957374 1 1 1 0
37 D01297 ( Pirenzepine hydrochloride ) hsa1129 ( cholinergic receptor muscarinic 2 ) 0.957124 0 0 0 0
38 D00604 ( Clonidine hydrochloride ) hsa148 ( adrenoceptor alpha 1A ) 0.955942 1 0 1 1
39 D05740 ( Rizatriptan sulfate ) hsa3355 ( 5-hydroxytryptamine receptor 1F ) 0.95499 1 0 1 0
40 D00514 ( Dexmedetomidine ) hsa151 ( adrenoceptor alpha 2B ) 0.954207 1 1 0 0
41 D01103 ( Trospium chloride ) hsa1131 ( cholinergic receptor muscarinic 3 ) 0.952886 1 1 0 0
42 D00604 ( Clonidine hydrochloride ) hsa147 ( adrenoceptor alpha 1B ) 0.95287 1 0 1 1
43 D02349 ( Dipivefrin ) hsa151 ( adrenoceptor alpha 2B ) 0.951897 1 1 0 0
44 D00465 ( Oxybutynin ) hsa1131 ( cholinergic receptor muscarinic 3 ) 0.951429 1 1 1 0
45 D00779 ( Biperiden ) hsa1131 ( cholinergic receptor muscarinic 3 ) 0.951412 1 1 0 0
46 D00682 ( Carboprost tromethamine ) hsa5739 ( prostaglandin I2 (prostacyclin) receptor (IP) ) 0.950861 0 0 0 0
47 D03187 ( Butaprost ) hsa5731 ( prostaglandin E receptor 1 ) 0.950326 0 0 0 0
48 D01973 ( Eletriptan hydrobromide ) hsa3356 ( 5-hydroxytryptamine receptor 2A ) 0.950306 0 0 0 0
49 D03187 ( Butaprost ) hsa5733 ( prostaglandin E receptor 3 ) 0.950291 0 0 0 0
50 D00559 ( Pramipexole hydrochloride ) hsa1812 ( dopamine receptor D1 ) 0.949496 1 0 1 0