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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: P35228

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	NOS2	P35228	Nitric oxide synthase, inducible	hsa00220; hsa00330; hsa01100; hsa04020; hsa04066; hsa04146; hsa04371; hsa04926; hsa05132; hsa05133; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05200; hsa05222	1NSI; 2LL6; 2NSI; 3E7G; 3EJ8; 3HR4; 4CX7; 4NOS

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental	SmallMoleculeDrug	DB07011	(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE	[H][C@@]1(CCCN(CC2=CC3=C(OCO3)C=C2)C1)OC1=CC=C(C=C1)N1C=CN=C1
2	Experimental; Investigational	SmallMoleculeDrug	DB03366	Imidazole	N1C=CN=C1
3	Investigational	SmallMoleculeDrug	DB05214	KD7040	NA
4	Experimental	SmallMoleculeDrug	DB02462	Thiocoumarin	CN(C)CCCOC1=CC(=O)SC2=CC=CC=C12
5	Approved	SmallMoleculeDrug	DB11327	Dipyrithione	[O-][N+]1=CC=CC=C1SSC1=CC=CC=[N+]1[O-]
6	Experimental	SmallMoleculeDrug	DB06916	N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE	[H][C@@]1(CCCN1C1=NC(=NC(C)=C1)N1C=CN=C1)C(=O)NCCC1=CC2=C(OCO2)C=C1
7	Experimental	SmallMoleculeDrug	DB07029	4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE	CC1=NC(OC2=CC=C(C=C2)N2C=CN=C2)=NC(OC2=CC3=C(OCO3)C=C2)=C1
8	Experimental	SmallMoleculeDrug	DB07306	ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	CCOC(=O)N1CCC(CC1)NC1=NC=CC(Cl)=C1
9	Experimental	SmallMoleculeDrug	DB07007	(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine	[H][C@@]1(COC2=CC=C3CCNCC3=C2)COC2=C(SC=C2)C(N)=N1
10	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
11	Experimental	SmallMoleculeDrug	DB04534	5-Nitroindazole	O=N(=O)C1=CC=C2NN=CC2=C1
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
13	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
14	Experimental	SmallMoleculeDrug	DB02207	7-Nitroindazole	O=N(=O)C1=CC=CC2=CNN=C12
15	Experimental	SmallMoleculeDrug	DB02234	S-Ethylisothiourea	CCSC(N)=N
16	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
17	Experimental	SmallMoleculeDrug	DB08214	4-(1H-IMIDAZOL-1-YL)PHENOL	OC1=CC=C(C=C1)N1C=CN=C1
18	Experimental	SmallMoleculeDrug	DB07389	N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE	CC1=CC(N)=NC(CCNC(=O)C2=CC=C(C=C2)C#N)=C1
19	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
20	Experimental	SmallMoleculeDrug	DB02044	N-(3-(Aminomethyl)Benzyl)Acetamidine	CC(=N)NCC1=CC=CC(CN)=C1
21	Experimental	SmallMoleculeDrug	DB02644	N-Omega-Propyl-L-Arginine	CCCNC(=[NH2+])NCCC[C@H](N)C(O)=O
22	Investigational	SmallMoleculeDrug	DB05252	Fenoxaprop-ethyl	CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1
23	Approved; Investigational	SmallMoleculeDrug	DB08814	Triflusal	CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O
24	Approved; Nutraceutical	SmallMoleculeDrug	DB00125	L-Arginine	N[C@@H](CCCNC(N)=N)C(O)=O
25	Experimental	SmallMoleculeDrug	DB01997	3-Bromo-7-Nitroindazole	BrC1=NNC2=C1C=CC=C2N(=O)=O
26	Experimental	SmallMoleculeDrug	DB04400	L-erythro-7,8-dihydrobiopterin	[H][C@@](C)(O)[C@]([H])(O)C1=NC2=C(NC1)NC(=N)N=C2O
27	Experimental	SmallMoleculeDrug	DB01686	N,N-dimethylarginine	N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O
28	Experimental	SmallMoleculeDrug	DB07388	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1
29	Experimental	SmallMoleculeDrug	DB03100	6-Nitroindazole	O=N(=O)C1=CC2=NNC=C2C=C1
30	Experimental	SmallMoleculeDrug	DB01835	4r-Fluoro-N6-Ethanimidoyl-L-Lysine	CC(=N)NCC[C@@H](F)C[C@H](N)C(O)=O
31	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
32	Approved; Investigational	SmallMoleculeDrug	DB09237	Levamlodipine	CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC
33	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB01234	Dexamethasone	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
34	Experimental	SmallMoleculeDrug	DB03144	N-Omega-Hydroxy-L-Arginine	N[C@@H](CCCNC(=N)NO)C(O)=O
35	Experimental	SmallMoleculeDrug	DB07318	N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE	[H][C@@]1(CCNC(=O)C2=COC=C2)NC2=C(F)C=CC(F)=C2C(N)=N1
36	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00155	L-Citrulline	N[C@@H](CCCNC(N)=O)C(O)=O
37	Experimental	SmallMoleculeDrug	DB03953	L-Thiocitrulline	N[C@@H](CCC\N=C(/N)S)C(O)=O
38	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
39	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
40	Investigational	SmallMoleculeDrug	DB05383	Pimagedine	NNC(N)=N

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	Experimental	SmallMoleculeDrug	DB03963	S-(Dimethylarsenic)Cysteine	[H][C@](N)(CS[As](C)C)C(O)=O		48.4%
2	Experimental	SmallMoleculeDrug	DB08231	Myristic acid	CCCCCCCCCCCCCC(O)=O		41.3%
3	Experimental	SmallMoleculeDrug	DB03305	N5-Iminoethyl-L-Ornithine	[H][C@](N)(CCCNC(C)=N)C(O)=O		39.5%
4	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		39.3%
5	Experimental	SmallMoleculeDrug	DB04018	S-Isopropyl-Isothiourea	CC(C)SC(N)=N		38.2%
6	Experimental	SmallMoleculeDrug	DB02589	Se-Ethyl-Isoselenourea	CC[Se]C(N)=N		35.8%
7	Experimental	SmallMoleculeDrug	DB01833	L-2-Amino-4-(Guanidinooxy)Butyric Acid	N[C@@H](CCONC(N)=N)C(O)=O		34.2%
8	Experimental	SmallMoleculeDrug	DB03065	7-Nitroindazole-2-Carboxamidine	NC(=N)N1C=C2C=CC=C(C2=N1)[N+]([O-])=O		33.5%
9	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		33.1%
10	Approved; Nutraceutical	SmallMoleculeDrug	DB13961	Fish oil	NA		32.8%
11	Experimental	SmallMoleculeDrug	DB02141	S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea	NC(=N)SCCC1=CC=C(CCSC(N)=N)C=C1		32.2%
12	Approved; Investigational	BiotechDrug	DB00030	Insulin Human	NA		31.6%
13	Experimental	SmallMoleculeDrug	DB02048	1,2,4-Triazole-Carboxamidine	NC(=[NH2+])N1C=NC=N1		31.6%
14	Approved	SmallMoleculeDrug	DB09089	Trimebutine	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1		31.4%
15	Approved	BiotechDrug	DB00071	Insulin Pork	NA		31.4%
16	Experimental	SmallMoleculeDrug	DB02994	Cacodylic acid	C[As](C)(O)=O		31.4%
17	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		31.2%
18	Experimental	SmallMoleculeDrug	DB04559	N-(Chlorophenyl)-N'-Hydroxyguanidine	ONC(=N)NC1=CC=C(Cl)C=C1		31.2%
19	Approved	SmallMoleculeDrug	DB00308	Ibutilide	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1		30.9%
20	Approved	SmallMoleculeDrug	DB00852	Pseudoephedrine	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1		30.1%