QuartataWeb 1.0

18 known interactions (drugs) of input target (MAPK1): Mitogen-activated protein kinase 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB02482	Phosphonothreonine	C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O
2	Experimental	SmallMoleculeDrug	DB04338	SB220025	NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1
3	Approved; Investigational	SmallMoleculeDrug	DB01064	Isoprenaline	CC(C)NCC(O)C1=CC(O)=C(O)C=C1
4	Experimental	SmallMoleculeDrug	DB07905	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione	[H][C@@]12C[C@]([H])(O)[C@]([H])(O)C(=O)C=CC[C@]([H])(C)OC(=O)C3=C(C=C(OC)C=C3O)[C@@]1([H])O2
5	Experimental	SmallMoleculeDrug	DB07010	N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE	ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1
6	Experimental	SmallMoleculeDrug	DB08513	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID	CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1
7	Experimental	SmallMoleculeDrug	DB02116	Olomoucine	CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1
8	Experimental	SmallMoleculeDrug	DB02733	Purvalanol	[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C
9	Approved; Experimental	SmallMoleculeDrug	DB11120	Turpentine	NA
10	Investigational	SmallMoleculeDrug	DB13930	Ulixertinib	[H]N([C@H](CO)C1=CC(Cl)=CC=C1)C(=O)C1=CC(=CN1[H])C1=CC(=NC=C1Cl)N([H])C(C)C
11	Experimental	SmallMoleculeDrug	DB08521	4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE	C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1
12	Investigational	SmallMoleculeDrug	DB06641	Perifosine	CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1
13	Experimental	SmallMoleculeDrug	DB07788	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE	[H]\C1=C([H])/C2=CC(OC)=CC(O)=C2C(=O)O[C@]([H])(C)C\C([H])=C([H])/C(=O)[C@@]([H])(O)[C@@]([H])(O)C1
14	Approved; Investigational	SmallMoleculeDrug	DB01169	Arsenic trioxide	O=[As]O[As]=O
15	Experimental	SmallMoleculeDrug	DB06877	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE	CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1
16	Investigational	SmallMoleculeDrug	DB06195	Seliciclib	CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1
17	Experimental	SmallMoleculeDrug	DB07264	(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE	[H][C@](CO)(NC(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC(Cl)=C1)C1=CC(Cl)=C(F)C=C1
18	Experimental	SmallMoleculeDrug	DB07794	5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE	NC1=NNC2=C1C=C(N=N2)C1=C2C=CC=CN2N=C1C1=CC=CC=C1

20 predicted interactions (drugs) of input target (MAPK1): Mitogen-activated protein kinase 1

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00143	Glutathione	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O	37.7%
2	Experimental	SmallMoleculeDrug	DB03428	SU9516	COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1	35.0%
3	Experimental	SmallMoleculeDrug	DB02950	Hymenialdisine	[H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O	33.5%
4	Experimental	SmallMoleculeDrug	DB04137	Guanosine-5'-Triphosphate	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1	29.7%
5	Approved; Investigational	SmallMoleculeDrug	DB12965	Silver	[Ag]	28.4%
6	Experimental	SmallMoleculeDrug	DB04604	5-iodotubercidin	[H][C@]1(CO)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O	27.0%
7	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB00914	Phenformin	NC(=N)NC(=N)NCCC1=CC=CC=C1	26.1%
8	Approved	SmallMoleculeDrug	DB00217	Bethanidine	CN\C(NCC1=CC=CC=C1)=N/C	25.0%
9	Approved; Investigational	SmallMoleculeDrug	DB01142	Doxepin	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12	24.9%
10	Experimental	SmallMoleculeDrug	DB08342	S-PALMITOYL-L-CYSTEINE	[H][C@](N)(CSC(=O)CCCCCCCCCCCCCCC)C(O)=O	24.4%
11	Approved; Investigational	SmallMoleculeDrug	DB00909	Zonisamide	NS(=O)(=O)CC1=NOC2=CC=CC=C12	24.3%
12	Experimental	SmallMoleculeDrug	DB03374	3,5-Diiodotyrosine	[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O	24.2%
13	Approved; Investigational; Withdrawn	SmallMoleculeDrug	DB06144	Sertindole	FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2	24.0%
14	Approved	SmallMoleculeDrug	DB00540	Nortriptyline	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12	23.3%
15	Approved	SmallMoleculeDrug	DB00321	Amitriptyline	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12	22.8%
16	Experimental	SmallMoleculeDrug	DB02052	Indirubin-3'-Monoxime	O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2	22.7%
17	Experimental	SmallMoleculeDrug	DB08096	8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM	CCN1C(NC2=CC=CC=C2Cl)=NC2=C1N=C(NC1=C(F)C=CC=C1F)N=C2	22.5%
18	Approved; Investigational	SmallMoleculeDrug	DB01136	Carvedilol	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2	22.4%
19	Investigational	SmallMoleculeDrug	DB05037	AT7519	NA	22.3%
20	Approved; Investigational	SmallMoleculeDrug	DB02325	Isopropyl Alcohol	CC(C)O	22.3%