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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.

Results:

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Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P29474

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	NOS3	P29474	Nitric oxide synthase, endothelial	hsa00220; hsa00330; hsa01100; hsa04020; hsa04022; hsa04066; hsa04071; hsa04151; hsa04370; hsa04371; hsa04611; hsa04915; hsa04921; hsa04926; hsa04931; hsa04933; hsa05418	1M9J; 1M9K; 1M9M; 1M9Q; 1M9R; 1NIW; 2LL7; 2MG5; 3EAH; 3NOS; 4D1O; 4D1P

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental	SmallMoleculeDrug	DB02077	L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide	N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O
2	Experimental	SmallMoleculeDrug	DB07001	(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine	[H][C@]1(CCC)COC2=C(SC=C2)C(=N)N1
3	Experimental	SmallMoleculeDrug	DB01821	L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyric Amide	[H][C@](N)(CCCNC(=N)NN(=O)=O)C(O)=N[C@@]([H])(CCN)C(O)=N
4	Experimental	SmallMoleculeDrug	DB07244	5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE	CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1
5	Experimental	SmallMoleculeDrug	DB03974	L-Homoarginine	N[C@@H](CCCCNC(N)=N)C(O)=O
6	Experimental	SmallMoleculeDrug	DB01833	L-2-Amino-4-(Guanidinooxy)Butyric Acid	N[C@@H](CCONC(N)=N)C(O)=O
7	Experimental	SmallMoleculeDrug	DB04534	5-Nitroindazole	O=N(=O)C1=CC=C2NN=CC2=C1
8	Experimental; Investigational	SmallMoleculeDrug	DB04223	Nitroarginine	N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
9	Experimental	SmallMoleculeDrug	DB02207	7-Nitroindazole	O=N(=O)C1=CC=CC2=CNN=C12
10	Experimental	SmallMoleculeDrug	DB02234	S-Ethylisothiourea	CCSC(N)=N
11	Experimental	SmallMoleculeDrug	DB02048	1,2,4-Triazole-Carboxamidine	NC(=[NH2+])N1C=NC=N1
12	Experimental	SmallMoleculeDrug	DB03910	S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea	NC(=N)SCCC1=CC(CCSC(N)=N)=CC=C1
13	Experimental	SmallMoleculeDrug	DB02994	Cacodylic acid	C[As](C)(O)=O
14	Experimental	SmallMoleculeDrug	DB04018	S-Isopropyl-Isothiourea	CC(C)SC(N)=N
15	Experimental	SmallMoleculeDrug	DB02044	N-(3-(Aminomethyl)Benzyl)Acetamidine	CC(=N)NCC1=CC=CC(CN)=C1
16	Experimental	SmallMoleculeDrug	DB02911	2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine	[H][C@]1(CNC2=C(N1)C(N)=NC(N)=N2)C1=CC=CC=C1
17	Experimental	SmallMoleculeDrug	DB03707	S-Ethyl-N-Phenyl-Isothiourea	CCS\C(N)=N\C1=CC=CC=C1
18	Approved; Nutraceutical	SmallMoleculeDrug	DB00125	L-Arginine	N[C@@H](CCCNC(N)=N)C(O)=O
19	Experimental	SmallMoleculeDrug	DB02335	2-Aminothiazoline	NC1=NCCS1
20	Experimental	SmallMoleculeDrug	DB01997	3-Bromo-7-Nitroindazole	BrC1=NNC2=C1C=CC=C2N(=O)=O
21	Experimental	SmallMoleculeDrug	DB02027	N-{(4s)-4-Amino-5-[(2-Aminoethyl)Amino]Pentyl}-N'-Nitroguanidine	NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
22	Experimental	SmallMoleculeDrug	DB01686	N,N-dimethylarginine	N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O
23	Experimental	SmallMoleculeDrug	DB07388	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1
24	Experimental	SmallMoleculeDrug	DB02589	Se-Ethyl-Isoselenourea	CC[Se]C(N)=N
25	Experimental	SmallMoleculeDrug	DB08019	N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine	[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@]1([H])NCCNCC1=CC(Cl)=CC=C1
26	Experimental	SmallMoleculeDrug	DB03065	7-Nitroindazole-2-Carboxamidine	NC(=N)N1C=C2C=CC=C(C2=N1)[N+]([O-])=O
27	Experimental	SmallMoleculeDrug	DB03100	6-Nitroindazole	O=N(=O)C1=CC2=NNC=C2C=C1
28	Approved; Investigational	SmallMoleculeDrug	DB09237	Levamlodipine	CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC
29	Experimental	SmallMoleculeDrug	DB02141	S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea	NC(=N)SCCC1=CC=C(CCSC(N)=N)C=C1
30	Experimental	SmallMoleculeDrug	DB03305	N5-Iminoethyl-L-Ornithine	[H][C@](N)(CCCNC(C)=N)C(O)=O
31	Experimental	SmallMoleculeDrug	DB03144	N-Omega-Hydroxy-L-Arginine	N[C@@H](CCCNC(=N)NO)C(O)=O
32	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00155	L-Citrulline	N[C@@H](CCCNC(N)=O)C(O)=O
33	Experimental	SmallMoleculeDrug	DB03963	S-(Dimethylarsenic)Cysteine	[H][C@](N)(CS[As](C)C)C(O)=O
34	Approved; Investigational	SmallMoleculeDrug	DB05676	Apremilast	[H][C@](CS(C)(=O)=O)(N1C(=O)C2=C(C1=O)C(=CC=C2)N=C(C)O)C1=CC(OCC)=C(OC)C=C1
35	Experimental	SmallMoleculeDrug	DB02979	N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane	CS\C(N)=N\CCCCCCCCCCCCCC\N=C(/N)SC
36	Experimental	SmallMoleculeDrug	DB04559	N-(Chlorophenyl)-N'-Hydroxyguanidine	ONC(=N)NC1=CC=C(Cl)C=C1
37	Experimental	SmallMoleculeDrug	DB03332	5,6-Cyclic-Tetrahydropteridine	NC1=NC2=C(N3[C@@H](COC3=O)CN2)C(=O)N1
38	Approved; Investigational	SmallMoleculeDrug	DB00360	Sapropterin	[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O
39	Experimental	SmallMoleculeDrug	DB08018	N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE	[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@@]1([H])NCCNCC1=CC=C(Cl)C=C1
40	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01110	Miconazole	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
41	Experimental	SmallMoleculeDrug	DB03918	6S-5,6,7,8-Tetrahydrobiopterin	[H][C@](C)(O)[C@@]([H])(O)[C@@]1([H])CNC2=C(N1)C(O)=NC(=N)N2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	Experimental	SmallMoleculeDrug	DB02644	N-Omega-Propyl-L-Arginine	CCCNC(=[NH2+])NCCC[C@H](N)C(O)=O		56.1%
2	Approved	SmallMoleculeDrug	DB00308	Ibutilide	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1		44.4%
3	Experimental	SmallMoleculeDrug	DB07002	4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile	COC1=CC=NC(NC2CCN(CC2)C(=O)C2=CC=C(C=C2)C#N)=C1		43.3%
4	Experimental	SmallMoleculeDrug	DB03449	N-(4-(2-((3-Chlorophenylmethyl)Amino)Ethyl)Phenyl)-2-Thiophecarboxamidine	ClC1=CC=CC(CNCCC2=CC=C(NC(=N)C3=CC=CS3)C=C2)=C1		41.7%
5	Experimental	SmallMoleculeDrug	DB06879	5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE	CCN1C2=C(F)C=CC(F)=C2C(N)=NC11CCN(CC1)C(=O)C1=CN=C(CC1)C#N		39.7%
6	Approved; Investigational	SmallMoleculeDrug	DB00622	Nicardipine	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1		38.8%
7	Experimental	SmallMoleculeDrug	DB07008	4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE	C1OC2=C(O1)C=C(OC1=CC=NC(OC3=CC=C(C=C3)N3C=CN=C3)=N1)C=C2		37.8%
8	Experimental	SmallMoleculeDrug	DB07306	ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	CCOC(=O)N1CCC(CC1)NC1=NC=CC(Cl)=C1		37.7%
9	Experimental	SmallMoleculeDrug	DB07405	1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE	NC1=NC2(CCN(CC2)C(=O)C2=CC=C(N=C2)C#N)NC2=C(F)C=CC(F)=C12		35.4%
10	Approved	SmallMoleculeDrug	DB09089	Trimebutine	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1		34.8%
11	Experimental	SmallMoleculeDrug	DB04400	L-erythro-7,8-dihydrobiopterin	[H][C@@](C)(O)[C@]([H])(O)C1=NC2=C(NC1)NC(=N)N=C2O		34.2%
12	Experimental	SmallMoleculeDrug	DB08750	1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE	NCC1=CC=C(C=C1)C(=O)N1CCC2(CC1)NC1=CC=CC(F)=C1C(N)=N2		33.8%
13	Approved; Vet approved	SmallMoleculeDrug	DB00668	Epinephrine	CNC[C@H](O)C1=CC(O)=C(O)C=C1		33.6%
14	Experimental	SmallMoleculeDrug	DB02462	Thiocoumarin	CN(C)CCCOC1=CC(=O)SC2=CC=CC=C12		33.2%
15	Experimental	SmallMoleculeDrug	DB07003	(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine	[H][C@]1(C)CN=C(N)C2=C(O1)C=CS2		33.1%
16	Investigational	SmallMoleculeDrug	DB05214	KD7040	NA		32.9%
17	Approved	SmallMoleculeDrug	DB00661	Verapamil	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		31.2%
18	Approved; Investigational	SmallMoleculeDrug	DB12278	Propiverine	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1		30.7%
19	Experimental	SmallMoleculeDrug	DB03710	N5-(1-Imino-3-Butenyl)-L-Ornithine	[H][C@]([NH3+])(CCCNC(=N)CCC)C(O)=O		30.7%
20	Experimental	SmallMoleculeDrug	DB01835	4r-Fluoro-N6-Ethanimidoyl-L-Lysine	CC(=N)NCC[C@@H](F)C[C@H](N)C(O)=O		30.5%