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PathPred: Pathway Prediction server


PathPred KEGG2

About PathPred

PathPred is a web-based server to predict plausible enzyme-catalyzed reaction pathways from a query compound using the information of RDM patterns and chemical structure alignments of substrate-product pairs. This server provides plausible reactions and transformed compounds, and displays all predicted reaction pathways in tree-shaped graph.

- PathPred help

Reference pathway:

Biosynthesis of Secondary Metabolites (Plants)

Enter initial compound: ( optional input form)

KEGG Compound ID (Ex) C06594
MOL File Name
MOL File Text
SMILES (Ex) c1(=O)(ccc2(c(o1)cc(O)cc2))

Enter final compound: (in one of the four forms)

KEGG Compound ID (Ex) C00160
MOL File Name
MOL File Text
SMILES (Ex) C1(=C(C(=CC2=C1OC(=O)C=C2)OC)OC)O

Options:

E-mail address
Simcomp Threshold (0.1 - 0.9)
Prediction cycle cycles ( >= 0 )

Pathway Prediction server

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