Fumaric Acid

Fumaric Acid

SCHEMBL8925070

C=CC(=O)OCC.C=CC(=O)OCC.O=C(O)/C=C/C(=O)O

nearest known ligand 0.72

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Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.72
TSHR P16473 8/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 5/20 0.45
TP53 P04637 4/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40

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
Maleic Acid SCHEMBL8772268 1.00 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Fumaric Acid SCHEMBL10717462 1.00 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Fumaric Acid SCHEMBL10717454 1.00 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Maleic Acid SCHEMBL28317871 1.00 HCAR2 (0.72) HCAR2TSHRHPGDALDH1A1TP53
Ethyl Fumarate SCHEMBL1067038 0.96 HCAR2 (0.80) HCAR2TSHRHPGDALDH1A1TP53
Maleic Acid SCHEMBL11165865 0.94 HCAR2 (0.64) HCAR2TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL40332 0.91 HCAR2 (0.58) HCAR2TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL28020506 0.91 HCAR2 (0.58) HCAR2TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL8587658 0.91 HCAR2 (0.58) HCAR2TSHRHPGDALDH1A1TP53
Acrylic Acid Ethyl Ester SCHEMBL28059697 0.90 HCAR2 (0.59) HCAR2TSHRHPGDALDH1A1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663032-A NAPHTHOL DERIVATIVE REDUCING AGENT CANON KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
EP-0653680-A2 Photosensitive composition, photosensitive material and image forming method CANON KABUSHIKI KAISHA (JP) 1995-05-17 EP disclosed
EP-0326424-A2 Photosensitive composition, photosensitive material, and image forming method CANON KABUSHIKI KAISHA (JP) 1989-08-02 EP disclosed