Results

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Compound	Pathway ID	Description	Score	Rank
[1] Untitled Original SMILES: C[C@H](CC1=CC=CC=C1)N(C)CC#C.Cl Prepared SMILES: C[C@@H](N(CC#C)C)Cc1ccccc1	hsa04610	Complement and coagulation cascades	0.000605969	1
	hsa04510	Focal adhesion	0.00052141	2
	hsa00100	Steroid biosynthesis	0.000495651	3
	hsa03320	PPAR signaling pathway	0.000471546	4
	hsa04915	Estrogen signaling pathway	0.000442955	5
	hsa04978	Mineral absorption	0.000436395	6
	hsa04974	Protein digestion and absorption	0.000432235	7
	hsa04151	PI3K-Akt signaling pathway	0.000425286	8
	hsa04640	Hematopoietic cell lineage	0.000414965	9
	hsa04612	Antigen processing and presentation	0.000377426	10
	hsa04216	Ferroptosis	0.000331464	11
	hsa04115	p53 signaling pathway	0.00031323	12
	hsa04657	IL-17 signaling pathway	0.000307084	13
	hsa04924	Renin secretion	0.000285434	14
	hsa04010	MAPK signaling pathway	0.000284291	15
	hsa04062	Chemokine signaling pathway	0.000266125	16
	hsa04913	Ovarian steroidogenesis	0.000249441	17
	hsa04218	Cellular senescence	0.000249103	18
	hsa04015	Rap1 signaling pathway	0.000248116	19
	hsa04670	Leukocyte transendothelial migration	0.000244398	20
	hsa04520	Adherens junction	0.000240813	21
	hsa04068	FoxO signaling pathway	0.000238226	22
	hsa04066	HIF-1 signaling pathway	0.000238111	23
	hsa00980	Metabolism of xenobiotics by cytochrome P450	0.000238111	24
	hsa04964	Proximal tubule bicarbonate reclamation	0.000236851	25
	hsa04961	Endocrine and other factor-regulated calcium reabsorption	0.000233725	26
	hsa00380	Tryptophan metabolism	0.000232685	27
	hsa00480	Glutathione metabolism	0.000231491	28
	hsa00140	Steroid hormone biosynthesis	0.000229768	29
	hsa04923	Regulation of lipolysis in adipocytes	0.000229313	30
	hsa04668	TNF signaling pathway	0.000228679	31
	hsa04972	Pancreatic secretion	0.000228356	32
	hsa00340	Histidine metabolism	0.00022695	33
	hsa04918	Thyroid hormone synthesis	0.00022561	34
	hsa00010	Glycolysis / Gluconeogenesis	0.00022156	35
	hsa04210	Apoptosis	0.000217024	36
	hsa04960	Aldosterone-regulated sodium reabsorption	0.000216172	37
	hsa00910	Nitrogen metabolism	0.000214385	38
	hsa04970	Salivary secretion	0.000212934	39
	hsa04350	TGF-beta signaling pathway	0.000210715	40
	hsa00900	Terpenoid backbone biosynthesis	0.0002088	41
	hsa04979	Cholesterol metabolism	0.000203293	42
	hsa04926	Relaxin signaling pathway	0.000202347	43
	hsa04310	Wnt signaling pathway	0.000199919	44
	hsa04110	Cell cycle	0.000193744	45
	hsa00250	Alanine, aspartate and glutamate metabolism	0.000193701	46
	hsa04971	Gastric acid secretion	0.000192391	47
	hsa00982	Drug metabolism - cytochrome P450	0.000191123	48
	hsa04614	Renin-angiotensin system	0.00018749	49
	hsa04672	Intestinal immune network for IgA production	0.000187457	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
24778	2026-08-28 15:13:52	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