QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P41743

No. Gene UniProt ID Protein Name Pathway PDB

1 PRKCI P41743 Protein kinase C iota type hsa04015; hsa04144; hsa04390; hsa04530; hsa04611; hsa04910; hsa05165 1VD2; 1WMH; 1ZRZ; 3A8W; 3A8X; 3ZH8

3 known interactions (drugs) of input target (PRKCI): Protein kinase C iota type

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC
2	Experimental	SmallMoleculeDrug	DB03777	Rbt205 Inhibitor	CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2
3	Approved	SmallMoleculeDrug	DB00675	Tamoxifen	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1

20 predicted interactions (drugs) of input target (PRKCI): Protein kinase C iota type

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Experimental	SmallMoleculeDrug	DB02010	Staurosporine	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC	35.7%
2	Investigational	SmallMoleculeDrug	DB08846	Ellagic Acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2	20.3%
3	Approved; Investigational; Nutraceutical	SmallMoleculeDrug	DB00131	Adenosine monophosphate	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1	18.8%
4	Approved	SmallMoleculeDrug	DB05013	Ingenol Mebutate	OCC1=C[C@]2([H])C(=O)[C@]3(C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@]1([H])C(C)(C)[C@@]21[H]	17.4%
5	Experimental	SmallMoleculeDrug	DB04716	2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE	CC(C)(C)C1=NC2=C3C=CC(F)=CC3=C3C(=O)NC=CC3=C2N1	16.6%
6	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1	16.6%
7	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]	15.8%
8	Approved; Investigational	SmallMoleculeDrug	DB08912	Dabrafenib	CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1	15.5%
9	Experimental	SmallMoleculeDrug	DB07242	(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile	[H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1	15.4%
10	Experimental	SmallMoleculeDrug	DB07456	3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione	[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@H]2CCCN2C)C2=CC=CC=C12	15.1%
11	Approved; Withdrawn	SmallMoleculeDrug	DB01149	Nefazodone	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1	15.0%
12	Experimental	SmallMoleculeDrug	DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O	14.9%
13	Investigational	SmallMoleculeDrug	DB06486	Enzastaurin	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12	14.7%
14	Experimental; Investigational	SmallMoleculeDrug	DB08838	Agmatine	NCCCCNC(N)=N	14.6%
15	Approved; Experimental	SmallMoleculeDrug	DB03796	Palmitic Acid	CCCCCCCCCCCCCCCC(O)=O	14.5%
16	Approved	SmallMoleculeDrug	DB00543	Amoxapine	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1	14.4%
17	Approved	SmallMoleculeDrug	DB00606	Cyclothiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2	14.2%
18	Experimental; Investigational	SmallMoleculeDrug	DB01933	7-Hydroxystaurosporine	[H][C@]1(O)N=C(O)C2=C3C4=CC=CC=C4N4C3=C3N(C5=CC=CC=C5C3=C12)[C@@]1(C)O[C@]4([H])C[C@@]([H])(NC)[C@@]1([H])OC	14.1%
19	Experimental	SmallMoleculeDrug	DB03721	N-acetyl-alpha-neuraminic acid	[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO	14.1%
20	Approved; Investigational	SmallMoleculeDrug	DB08901	Ponatinib	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1	14.0%