Fumaric Acid

Fumaric Acid

SCHEMBL9047183

CCN(CC)CCc1nc2c(s1)=CC1=CC=CCC=21.O=C(O)C=CC(=O)O

nearest known ligand 0.30

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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 SCHEMBL9045625 0.85
Fumaric Acid SCHEMBL9048442 0.83
Fumaric Acid SCHEMBL9048088 0.83
Fumaric Acid SCHEMBL9046923 0.82
Fumaric Acid SCHEMBL9045597 0.80
Fumaric Acid SCHEMBL9050004 0.79 HRH3 (0.37) ALDH1A1
Fumaric Acid SCHEMBL9096120 0.78 TBXAS1 (0.39)
Fumaric Acid SCHEMBL9048779 0.77 HRH4 (0.37) ALDH1A1
Fumaric Acid SCHEMBL9047521 0.76 CYP3A4 (0.36)
SCHEMBL9048189 0.76

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
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed