Results

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Compound	Pathway ID	Description	Score	Rank
[1] Untitled Original SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O Prepared SMILES: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C	hsa04610	Complement and coagulation cascades	0.000604594	1
	hsa04510	Focal adhesion	0.000528437	2
	hsa03320	PPAR signaling pathway	0.000475346	3
	hsa00100	Steroid biosynthesis	0.000450423	4
	hsa04915	Estrogen signaling pathway	0.000445592	5
	hsa04974	Protein digestion and absorption	0.000442217	6
	hsa04151	PI3K-Akt signaling pathway	0.000436863	7
	hsa04978	Mineral absorption	0.00042246	8
	hsa04640	Hematopoietic cell lineage	0.000417329	9
	hsa04612	Antigen processing and presentation	0.000375598	10
	hsa04216	Ferroptosis	0.000344665	11
	hsa04115	p53 signaling pathway	0.000320359	12
	hsa04657	IL-17 signaling pathway	0.000304746	13
	hsa04924	Renin secretion	0.000300738	14
	hsa04010	MAPK signaling pathway	0.000290424	15
	hsa04062	Chemokine signaling pathway	0.00027158	16
	hsa04015	Rap1 signaling pathway	0.000259755	17
	hsa04670	Leukocyte transendothelial migration	0.000257692	18
	hsa04066	HIF-1 signaling pathway	0.000255013	19
	hsa04964	Proximal tubule bicarbonate reclamation	0.000254931	20
	hsa04218	Cellular senescence	0.00024814	21
	hsa04668	TNF signaling pathway	0.000246024	22
	hsa04068	FoxO signaling pathway	0.000245363	23
	hsa00380	Tryptophan metabolism	0.000242088	24
	hsa04520	Adherens junction	0.000240384	25
	hsa04923	Regulation of lipolysis in adipocytes	0.000238154	26
	hsa04972	Pancreatic secretion	0.000238033	27
	hsa04961	Endocrine and other factor-regulated calcium reabsorption	0.000237074	28
	hsa00480	Glutathione metabolism	0.000236791	29
	hsa04918	Thyroid hormone synthesis	0.000236522	30
	hsa04979	Cholesterol metabolism	0.000234416	31
	hsa04960	Aldosterone-regulated sodium reabsorption	0.000229606	32
	hsa00010	Glycolysis / Gluconeogenesis	0.000229123	33
	hsa00980	Metabolism of xenobiotics by cytochrome P450	0.000229035	34
	hsa04210	Apoptosis	0.000221089	35
	hsa00910	Nitrogen metabolism	0.000218231	36
	hsa04350	TGF-beta signaling pathway	0.00021499	37
	hsa04970	Salivary secretion	0.000214463	38
	hsa04110	Cell cycle	0.000211981	39
	hsa04971	Gastric acid secretion	0.000211282	40
	hsa00340	Histidine metabolism	0.000210977	41
	hsa04913	Ovarian steroidogenesis	0.000210217	42
	hsa04926	Relaxin signaling pathway	0.000203282	43
	hsa04310	Wnt signaling pathway	0.000203268	44
	hsa00051	Fructose and mannose metabolism	0.00019967	45
	hsa04672	Intestinal immune network for IgA production	0.00019554	46
	hsa04540	Gap junction	0.000191973	47
	hsa00350	Tyrosine metabolism	0.000190442	48
	hsa00250	Alanine, aspartate and glutamate metabolism	0.000189963	49
	hsa00982	Drug metabolism - cytochrome P450	0.000186123	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
19439	2025-11-25 16:59:48	Pathways	DPNetInfer	Drug-pathway association network for pan-cancer (version 2020)	MACCS Download	α = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50	Download

Results

[1] Untitled

Job Information