Fumaric Acid

Fumaric Acid

SCHEMBL9868255

Cc1nc2cnccc2n1-c1ccc(COc2cccnc2)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.52

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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 6)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.44
KMT2A known ✓ Q03164 1/20 0.44
DRD1 known ✓ P21728 1/20 0.43
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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 SCHEMBL9868247 1.00 MEN1 (0.44) MEN1KMT2ADRD1MAPTRAB9A
SCHEMBL9337098 0.78 SGMS2 (0.43) DRD1
SCHEMBL7770156 0.77 DRD1 (0.45) MEN1KMT2ADRD1
SCHEMBL4446308 0.77 MRGPRX4 (0.58) RAB9A
SCHEMBL9523919 0.76 PARP1 (0.49) DRD1RAB9A
SCHEMBL9332789 0.76 KLKB1 (0.51) MEN1KMT2ADRD1
SCHEMBL9335569 0.75 KMT2A (0.44) MEN1KMT2A
SCHEMBL7774816 0.74 DRD1 (0.49) MEN1KMT2ADRD1
SCHEMBL9867733 0.74 RXRA (0.45) MEN1KMT2AMAPT
SCHEMBL9335256 0.74 TDP2 (0.55) MEN1KMT2ADRD1

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
WO-1991017162-A1 IMIDAZOPYRIDINE PAF ANTAGONISTS PFIZER LIMITED (GB) 1991-11-14 WO disclosed