Maleic Acid

Maleic Acid

SCHEMBL2891128

Cc1nc2cc3c(cc2nc1C)C(NCCc1ccccc1)C(O)C(C)(C)O3.O=C(O)/C=C\C(=O)O

nearest known ligand 0.44

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.44
ABCB1 P08183 6/20 0.43
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCC9 O60706 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL2891134 1.00 KCNA5 (0.44) KCNA5ABCB1ALDH1A1TAAR1IDO1
Maleic Acid SCHEMBL2891131 1.00 KCNA5 (0.44) KCNA5ABCB1ALDH1A1TAAR1IDO1
SCHEMBL2890974 0.93 ABCB1 (0.47) KCNA5ABCB1IDO1ABCC9
SCHEMBL2010363 0.93 ABCB1 (0.47) KCNA5ABCB1IDO1ABCC9
SCHEMBL2012518 0.86 ABCB1 (0.43) KCNA5ABCB1IDO1ABCC9
SCHEMBL2008673 0.86 ABCB1 (0.43) KCNA5ABCB1IDO1ABCC9
SCHEMBL2891815 0.86 ABCB1 (0.43) KCNA5ABCB1IDO1ABCC9
SCHEMBL2889297 0.86 ABCB1 (0.43) KCNA5ABCB1IDO1ABCC9
Fumaric Acid SCHEMBL2029427 0.84 KCNA5 (0.40) KCNA5ABCB1ALDH1A1TAAR1IDO1
SCHEMBL2889119 0.83 KCNA5 (0.47) KCNA5ABCB1ABCC9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed