Results

Download as: CSV TSV

Compound	Target ID	Protein name	Protein family	Gene symbol	Gene ID	Organism	Score	Rank
[1] Untitled Original SMILES: C12(C[C@@H]3C[C@H](O1)C/C=C(/[C@@H](O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC)OC)[C@H](/C=C/C=C\1/[C@]4([C@H](C(=O)O3)C=C([C@H]([C@H]4COC1)O)C)O)C)\C)O[C@@H]([C@H](C=C2)C)[C@H](CC)C Prepared SMILES: CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\COC[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)OC2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)	Tyrosyl-DNA phosphodiesterase family	TDP1	55775;	Homo sapiens (Human)	0.149906	1
	P84022	Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...	Dwarfin/SMAD family	SMAD3	4088;	Homo sapiens (Human)	0.0418981	2
	Q06710	Paired box protein Pax-8		PAX8	7849;	Homo sapiens (Human)	0.0387429	3
	Q16236	Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...	BZIP family, CNC subfamily	NFE2L2	4780;	Homo sapiens (Human)	0.0360035	4
	P08684	Cytochrome P450 3A4 (EC 1.14.14.-) (1,8-cineole 2-exo-monooxygenase) (EC 1.14.14.56) (Albendazole ...	Cytochrome P450 family	CYP3A4	1576;	Homo sapiens (Human)	0.0356923	5
	P04150	Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...	Nuclear hormone receptor family, NR3 subfamily	NR3C1	2908;	Homo sapiens (Human)	0.0337904	6
	P07900	Heat shock protein HSP 90-alpha (Heat shock 86 kDa) (HSP ...	Heat shock protein 90 family	HSP90AA1	3320;	Homo sapiens (Human)	0.0318289	7
	P06276	Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...	Type-B carboxylesterase/lipase family	BCHE	590;	Homo sapiens (Human)	0.0306561	8
	O75030	Microphthalmia-associated transcription factor (Class E basic helix-loop-helix protein 32) (bHLHe32)	MiT/TFE family	MITF	4286;	Homo sapiens (Human)	0.029858	9
	P07437	Tubulin beta chain (Tubulin beta-5 chain)	Tubulin family	TUBB	203068;	Homo sapiens (Human)	0.0283705	10
	P16662	UDP-glucuronosyltransferase 2B7 (UDPGT 2B7) (EC 2.4.1.17) (3,4-catechol estrogen-specific UDPGT) (UDP-glucuronosyltransferase ...	UDP-glycosyltransferase family	UGT2B7	7364;	Homo sapiens (Human)	0.0273899	11
	P22309	UDP-glucuronosyltransferase 1-1 (UDPGT 1-1) (UGT1*1) (UGT1-01) (UGT1.1) (EC 2.4.1.17) (Bilirubin-specific ...	UDP-glycosyltransferase family	UGT1A1	54658;	Homo sapiens (Human)	0.0273154	12
	P22310	UDP-glucuronosyltransferase 1-4 (UDPGT 1-4) (UGT1*4) (UGT1-04) (UGT1.4) (EC 2.4.1.17) (Bilirubin-specific ...	UDP-glycosyltransferase family	UGT1A4	54657;	Homo sapiens (Human)	0.0271816	13
	Q9Y6L6	Solute carrier organic anion transporter family member 1B1 (Liver-specific organic ...	Organo anion transporter (TC 2.A.60) family	SLCO1B1	10599;	Homo sapiens (Human)	0.0263474	14
	O75874	Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (EC 1.1.1.42) (Cytosolic NADP-isocitrate dehydrogenase) ...	Isocitrate and isopropylmalate dehydrogenases family	IDH1	3417;	Homo sapiens (Human)	0.0257762	15
	P35228	Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...	NOS family	NOS2	4843;	Homo sapiens (Human)	0.0257499	16
	P29475	Nitric oxide synthase, brain (EC 1.14.13.39) (Constitutive NOS) (NC-NOS) (NOS ...	NOS family	NOS1	4842;	Homo sapiens (Human)	0.0246777	17
	Q96QE3	ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...	AAA ATPase family	ATAD5	79915;	Homo sapiens (Human)	0.0243909	18
	O75496	Geminin	Geminin family	GMNN	51053;	Homo sapiens (Human)	0.0239258	19
	P08238	Heat shock protein HSP 90-beta (HSP 90) (Heat shock 84 ...	Heat shock protein 90 family	HSP90AB1	3326;	Homo sapiens (Human)	0.0238162	20
	P41145	Kappa-type opioid receptor (K-OR-1) (KOR-1)	G-protein coupled receptor 1 family	OPRK1	4986;	Homo sapiens (Human)	0.0224827	21
	P23975	Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily	SLC6A2	6530;	Homo sapiens (Human)	0.0223378	22
	P00918	Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...	Alpha-carbonic anhydrase family	CA2	760;	Homo sapiens (Human)	0.0220742	23
	Q12809	Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ...	Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamily	KCNH2	3757;	Homo sapiens (Human)	0.0213614	24
	P11229	Muscarinic acetylcholine receptor M1	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...	CHRM1	1128;	Homo sapiens (Human)	0.0206937	25
	P35372	Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...	G-protein coupled receptor 1 family	OPRM1	4988;	Homo sapiens (Human)	0.0199475	26
	Q15393	Splicing factor 3B subunit 3 (Pre-mRNA-splicing factor SF3b 130 kDa ...	RSE1 family	SF3B3	23450;	Homo sapiens (Human)	0.0197146	27
	P41143	Delta-type opioid receptor (D-OR-1) (DOR-1)	G-protein coupled receptor 1 family	OPRD1	4985;	Homo sapiens (Human)	0.0196323	28
	P17252	Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)	Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamily	PRKCA	5578;	Homo sapiens (Human)	0.0186468	29
	P20309	Muscarinic acetylcholine receptor M3	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...	CHRM3	1131;	Homo sapiens (Human)	0.0184856	30
	P10635	Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...	Cytochrome P450 family	CYP2D6	1565;	Homo sapiens (Human)	0.0184142	31
	Q96KQ7	Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.43) (Euchromatic histone-lysine N-methyltransferase ...	Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamily	EHMT2	10919;	Homo sapiens (Human)	0.0182956	32
	P37268	Squalene synthase (SQS) (SS) (EC 2.5.1.21) (FPP:FPP farnesyltransferase) (Farnesyl-diphosphate farnesyltransferase)	Phytoene/squalene synthase family	FDFT1	2222;	Homo sapiens (Human)	0.0179218	33
	P08172	Muscarinic acetylcholine receptor M2	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...	CHRM2	1129;	Homo sapiens (Human)	0.0176906	34
	P11511	Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...	Cytochrome P450 family	CYP19A1	1588;	Homo sapiens (Human)	0.0172942	35
	Q9NPD5	Solute carrier organic anion transporter family member 1B3 (Liver-specific organic ...	Organo anion transporter (TC 2.A.60) family	SLCO1B3	28234;	Homo sapiens (Human)	0.0168276	36
	Q01959	Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily	SLC6A3	6531;	Homo sapiens (Human)	0.0168124	37
	P31645	Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...	Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamily	SLC6A4	6532;	Homo sapiens (Human)	0.0160037	38
	P11473	Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...	Nuclear hormone receptor family, NR1 subfamily	VDR	7421;	Homo sapiens (Human)	0.015973	39
	P04035	3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)	HMG-CoA reductase family	HMGCR	3156;	Homo sapiens (Human)	0.0159385	40
	P0DMS8	Adenosine receptor A3	G-protein coupled receptor 1 family	ADORA3	140;	Homo sapiens (Human)	0.0155913	41
	P08173	Muscarinic acetylcholine receptor M4	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...	CHRM4	1132;	Homo sapiens (Human)	0.0152138	42
	P50579	Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation ...	Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamily	METAP2	10988;	Homo sapiens (Human)	0.0150925	43
	P08912	Muscarinic acetylcholine receptor M5	G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...	CHRM5	1133;	Homo sapiens (Human)	0.0146776	44
	P18031	Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ...	Protein-tyrosine phosphatase family, Non-receptor class 1 subfamily	PTPN1	5770;	Homo sapiens (Human)	0.0146618	45
	P21554	Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)	G-protein coupled receptor 1 family	CNR1	1268;	Homo sapiens (Human)	0.0146089	46
	Q02750	Dual specificity mitogen-activated protein kinase kinase 1 (MAP kinase kinase ...	Protein kinase superfamily, STE Ser/Thr protein kinase family, MAP kinase ...	MAP2K1	5604;	Homo sapiens (Human)	0.0144574	47
	O75469	Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...	Nuclear hormone receptor family, NR1 subfamily	NR1I2	8856;	Homo sapiens (Human)	0.0134207	48
	P29474	Nitric oxide synthase, endothelial (EC 1.14.13.39) (Constitutive NOS) (cNOS) (EC-NOS) ...	NOS family	NOS3	4846;	Homo sapiens (Human)	0.0128681	49
	Q14573	Inositol 1,4,5-trisphosphate receptor type 3 (IP3 receptor isoform 3) (IP3R ...	InsP3 receptor family	ITPR3	3710;	Homo sapiens (Human)	0.0127986	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
19244	2025-11-17 20:46:28	Target proteins	Substructure-Drug-Target Network-Based Inference (SDTNBI)	Global drug-target interaction (DTI) network (version 2020)	Morgan fingerprint, similar to FCFP_4 Download	k = 2, Top 50	Download

Results

[1] Untitled

Job Information