QuartataWeb 1.0

15 known interactions (drugs) of input target (AGTR1): Type-1 angiotensin II receptor

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB01342	Forasartan	CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1
2	Approved	SmallMoleculeDrug	DB00796	Candesartan cilexetil	CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)C(=CC=C2)C(=O)OC(C)OC(=O)OC1CCCCC1
3	Approved; Investigational	SmallMoleculeDrug	DB11842	Angiotensin II	CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
4	Approved; Investigational	SmallMoleculeDrug	DB00275	Olmesartan	CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(O)=O)C(C)(C)O
5	Experimental	SmallMoleculeDrug	DB01347	Saprisartan	CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O
6	Experimental	SmallMoleculeDrug	DB13919	Candesartan	CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1
7	Approved; Investigational	SmallMoleculeDrug	DB01029	Irbesartan	CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
8	Investigational	BiotechDrug	DB05739	CYT006-AngQb	NA
9	Approved	SmallMoleculeDrug	DB00876	Eprosartan	CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O
10	Approved; Investigational	SmallMoleculeDrug	DB08822	Azilsartan medoxomil	CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)N1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1
11	Approved	SmallMoleculeDrug	DB00678	Losartan	CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
12	Approved; Investigational	SmallMoleculeDrug	DB00966	Telmisartan	CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O
13	Approved; Investigational	SmallMoleculeDrug	DB00177	Valsartan	CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O
14	Approved	SmallMoleculeDrug	DB01349	Tasosartan	CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1
15	Approved; Investigational	SmallMoleculeDrug	DB09279	Fimasartan	CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1

20 predicted interactions (drugs) of input target (AGTR1): Type-1 angiotensin II receptor

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	43.8%
2	Approved; Nutraceutical	SmallMoleculeDrug	DB01373	Calcium	[Ca]	37.1%
3	Investigational	SmallMoleculeDrug	DB12695	Phenethyl Isothiocyanate	S=C=NCCC1=CC=CC=C1	32.1%
4	Approved; Investigational	SmallMoleculeDrug	DB09462	Glycerin	OCC(O)CO	30.0%
5	Approved	SmallMoleculeDrug	DB02659	Cholic Acid	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C	27.8%
6	Approved; Investigational	SmallMoleculeDrug	DB01118	Amiodarone	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2	27.2%
7	Experimental	SmallMoleculeDrug	DB02052	Indirubin-3'-Monoxime	O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2	26.0%
8	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00118	Ademetionine	[H][C@](N)(CC[S+](C)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C([O-])=O	26.0%
9	Approved; Nutraceutical	SmallMoleculeDrug	DB00139	Succinic acid	OC(=O)CCC(O)=O	24.4%
10	Experimental	SmallMoleculeDrug	DB07428	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine	COC1=CC(OCC2=CC=NC=C2)=C(C)C=C1	23.2%
11	Approved	SmallMoleculeDrug	DB04855	Dronedarone	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2	23.0%
12	Experimental	SmallMoleculeDrug	DB08080	LATRUNCULIN B	[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@@]2([H])C[C@@]([H])(CC[C@]([H])(C)\C=C/CC\C(C)=C/C(=O)O2)O1	22.9%
13	Approved; Nutraceutical	SmallMoleculeDrug	DB00132	Alpha-Linolenic Acid	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O	22.9%
14	Approved; Investigational	SmallMoleculeDrug	DB00583	L-Carnitine	C[N+](C)(C)C[C@H](O)CC([O-])=O	22.8%
15	Approved; Investigational	SmallMoleculeDrug	DB08912	Dabrafenib	CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1	22.8%
16	Experimental	SmallMoleculeDrug	DB01917	Putrescine	NCCCCN	22.3%
17	Experimental	SmallMoleculeDrug	DB04014	Alsterpaullone	[O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1	21.9%
18	Approved; Investigational	SmallMoleculeDrug	DB01026	Ketoconazole	CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1	21.5%
19	Approved; Investigational	SmallMoleculeDrug	DB12965	Silver	[Ag]	20.8%
20	Withdrawn	SmallMoleculeDrug	DB02383	Tolrestat	COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F	20.8%