Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics

Viewer control panel                    

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:

Download Network (json)

Download results

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P29475

No.	Gene	UniProt ID	Protein Name	Pathway	PDB
1	NOS1	P29475	Nitric oxide synthase, brain	hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014	4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image
1	Experimental	SmallMoleculeDrug	DB03892	5-N-Allyl-Arginine	N[C@@H](CCCN\C(N)=[NH+]\CC=C)C(O)=O
2	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
3	Approved; Vet approved	SmallMoleculeDrug	DB01221	Ketamine	CNC1(CCCCC1=O)C1=CC=CC=C1Cl
4	Experimental	SmallMoleculeDrug	DB02143	N-Isopropyl-N'-Hydroxyguanidine	CC(C)NC(=N)NO
5	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
6	Experimental	SmallMoleculeDrug	DB03461	2'-Monophosphoadenosine 5'-Diphosphoribose	[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C(O)=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O
7	Experimental; Investigational	SmallMoleculeDrug	DB04223	Nitroarginine	N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
8	Approved; Experimental; Investigational	SmallMoleculeDrug	DB01942	Formic Acid	OC=O
9	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
10	Approved; Investigational	SmallMoleculeDrug	DB03247	Flavin mononucleotide	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2
11	Investigational	SmallMoleculeDrug	DB06096	NXN-188	NA
12	Experimental	SmallMoleculeDrug	DB02044	N-(3-(Aminomethyl)Benzyl)Acetamidine	CC(=N)NCC1=CC=CC(CN)=C1
13	Experimental	SmallMoleculeDrug	DB02644	N-Omega-Propyl-L-Arginine	CCCNC(=[NH2+])NCCC[C@H](N)C(O)=O
14	Approved	SmallMoleculeDrug	DB03147	Flavin adenine dinucleotide	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2
15	Experimental	SmallMoleculeDrug	DB03707	S-Ethyl-N-Phenyl-Isothiourea	CCS\C(N)=N\C1=CC=CC=C1
16	Experimental	SmallMoleculeDrug	DB01997	3-Bromo-7-Nitroindazole	BrC1=NNC2=C1C=CC=C2N(=O)=O
17	Experimental	SmallMoleculeDrug	DB02027	N-{(4s)-4-Amino-5-[(2-Aminoethyl)Amino]Pentyl}-N'-Nitroguanidine	NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
18	Experimental	SmallMoleculeDrug	DB02727	N-Butyl-N'-Hydroxyguanidine	CCCCNC(=N)NO
19	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
20	Experimental	SmallMoleculeDrug	DB03144	N-Omega-Hydroxy-L-Arginine	N[C@@H](CCCNC(=N)NO)C(O)=O
21	Experimental	SmallMoleculeDrug	DB02991	S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea	CCS\C(N)=N\C1=CC=C(C=C1)C(F)(F)F
22	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00155	L-Citrulline	N[C@@H](CCCNC(N)=O)C(O)=O
23	Approved; Investigational	SmallMoleculeDrug	DB09241	Methylene blue	[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1
24	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
25	Experimental	SmallMoleculeDrug	DB03710	N5-(1-Imino-3-Butenyl)-L-Ornithine	[H][C@]([NH3+])(CCCNC(=N)CCC)C(O)=O

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Image	Confidence score
1	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		47.4%
2	Approved	SmallMoleculeDrug	DB09089	Trimebutine	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1		40.7%
3	Approved; Investigational	SmallMoleculeDrug	DB09130	Copper	[Cu]		38.2%
4	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00145	Glycine	NCC(O)=O		37.3%
5	Experimental	SmallMoleculeDrug	DB01686	N,N-dimethylarginine	N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O		33.7%
6	Experimental	SmallMoleculeDrug	DB02994	Cacodylic acid	C[As](C)(O)=O		33.6%
7	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1		32.4%
8	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		31.7%
9	Experimental	SmallMoleculeDrug	DB01833	L-2-Amino-4-(Guanidinooxy)Butyric Acid	N[C@@H](CCONC(N)=N)C(O)=O		31.4%
10	Experimental	SmallMoleculeDrug	DB02207	7-Nitroindazole	O=N(=O)C1=CC=CC2=CNN=C12		31.4%
11	Approved; Experimental	SmallMoleculeDrug	DB03796	Palmitic Acid	CCCCCCCCCCCCCCCC(O)=O		30.7%
12	Experimental	SmallMoleculeDrug	DB03100	6-Nitroindazole	O=N(=O)C1=CC2=NNC=C2C=C1		30.6%
13	Approved; Investigational	SmallMoleculeDrug	DB00360	Sapropterin	[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O		30.3%
14	Experimental	SmallMoleculeDrug	DB03065	7-Nitroindazole-2-Carboxamidine	NC(=N)N1C=C2C=CC=C(C2=N1)[N+]([O-])=O		29.2%
15	Approved; Investigational; Vet approved	SmallMoleculeDrug	DB00721	Procaine	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		29.2%
16	Experimental	SmallMoleculeDrug	DB02979	N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane	CS\C(N)=N\CCCCCCCCCCCCCC\N=C(/N)SC		29.0%
17	Approved; Investigational	BiotechDrug	DB12023	Benralizumab	NA		28.7%
18	Experimental	SmallMoleculeDrug	DB02589	Se-Ethyl-Isoselenourea	CC[Se]C(N)=N		28.1%
19	Approved; Investigational	SmallMoleculeDrug	DB01069	Promethazine	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		28.0%
20	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		27.8%