QuartataWeb 1.0

16 known interactions (drugs) of input target (GNRHR): Gonadotropin-releasing hormone receptor

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved	SmallMoleculeDrug	DB00014	Goserelin	CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O
2	Investigational	SmallMoleculeDrug	DB05624	Teverelix	CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
3	Approved; Investigational	SmallMoleculeDrug	DB00050	Cetrorelix	CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
4	Approved	SmallMoleculeDrug	DB06699	Degarelix	CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
5	Approved; Investigational	BiotechDrug	DB00007	Leuprolide	NA
6	Approved	SmallMoleculeDrug	DB01406	Danazol	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3
7	Approved	SmallMoleculeDrug	DB11619	Gestrinone	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]
8	Approved; Investigational	BiotechDrug	DB06719	Buserelin	NA
9	; Luteinizing hormone-releasing factor (pig), 6-D-tryptophan; pGlu-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-Gly-NH2	SmallMoleculeDrug	DB06825	Triptorelin	;triptorelina;triptoreline;triptorelinum
10	Approved	SmallMoleculeDrug	DB00666	Nafarelin	CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
11	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00106	Abarelix	CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
12	Investigational	SmallMoleculeDrug	DB06494	Sufugolix	CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)CC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=CC=C1
13	Approved; Investigational	SmallMoleculeDrug	DB11979	Elagolix	COC1=C(F)C(=CC=C1)C1=C(C)N(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C1=O
14	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00644	Gonadorelin	CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O
15	; histrelina; histreline; histrelinum; L-pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-Nim-benzyl-histidyl-L-leucyl-L-arginyl-L-proline ethylamide	SmallMoleculeDrug	DB06788	Histrelin	Approved
16	Approved	SmallMoleculeDrug	DB06785	Ganirelix	CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

20 predicted interactions (drugs) of input target (GNRHR): Gonadotropin-releasing hormone receptor

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved	BiotechDrug	DB09035	Nivolumab	NA	27.0%
2	Approved	SmallMoleculeDrug	DB13857	Demegestone	[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H]	26.4%
3	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	26.2%
4	Approved	BiotechDrug	DB00097	Choriogonadotropin alfa	NA	26.2%
5	Approved; Investigational	SmallMoleculeDrug	DB00834	Mifepristone	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]	26.0%
6	Approved; Nutraceutical	SmallMoleculeDrug	DB01373	Calcium	[Ca]	25.9%
7	Approved; Vet approved	BiotechDrug	DB09126	Chorionic Gonadotropin (Human)	NA	24.7%
8	Approved; Nutraceutical	SmallMoleculeDrug	DB00159	Icosapent	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	24.5%
9	Experimental	SmallMoleculeDrug	DB01694	D-tartaric acid	O[C@@H]([C@@H](O)C(O)=O)C(O)=O	23.1%
10	Approved	SmallMoleculeDrug	DB00201	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	21.4%
11	Approved; Nutraceutical	SmallMoleculeDrug	DB00128	L-Aspartic Acid	N[C@@H](CC(O)=O)C(O)=O	21.3%
12	Approved; Investigational	SmallMoleculeDrug	DB05266	Ibudilast	CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C	20.7%
13	Experimental	SmallMoleculeDrug	DB04147	Lauryl Dimethylamine-N-Oxide	CCCCCCCCCCCC[N+](C)(C)[O-]	20.3%
14	Approved; Investigational	SmallMoleculeDrug	DB06713	Norelgestromin	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO	20.1%
15	Approved; Withdrawn	SmallMoleculeDrug	DB00756	Hexachlorophene	OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl	20.1%
16	Approved; Investigational	SmallMoleculeDrug	DB00216	Eletriptan	CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2	20.1%
17	Approved	SmallMoleculeDrug	DB01039	Fenofibrate	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1	20.0%
18	Approved; Nutraceutical	SmallMoleculeDrug	DB00168	Aspartame	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O	20.0%
19	Approved; Investigational	SmallMoleculeDrug	DB00367	Levonorgestrel	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]	19.9%
20	Experimental	SmallMoleculeDrug	DB07423	(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide	CC(=O)NC1=CC=C(OC[C@](C)(O)C(=O)NC2=CC(=C(C=C2)[N+]([O-])=O)C(F)(F)F)C=C1	19.6%