Fumaric Acid

Fumaric Acid

SCHEMBL9602356

CC(COc1ccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)cc1)N(C)C.O=C(O)/C=C/C(=O)O

nearest known ligand 0.37

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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 6)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.33
MEN1 known ✓ O00255 1/20 0.32
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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 SCHEMBL9602362 1.00 HRH3 (0.37) HRH3KMT2AALDH1A1GAATDP1
SCHEMBL9602093 0.93 HRH3 (0.39) HRH3KMT2AALDH1A1GAAMEN1
Fumaric Acid SCHEMBL9866109 0.89 HRH3 (0.37) HRH3KMT2AALDH1A1GAATDP1
Fumaric Acid SCHEMBL9603083 0.85 MCHR1 (0.39) HRH3KMT2AALDH1A1GAATDP1
Fumaric Acid SCHEMBL9603089 0.85 MCHR1 (0.39) HRH3KMT2AALDH1A1GAATDP1
SCHEMBL9602848 0.85 HRH3 (0.40) HRH3KMT2AALDH1A1GAA
SCHEMBL9866493 0.82 HRH3 (0.41) HRH3KMT2AALDH1A1GAATDP1
SCHEMBL9601997 0.81 HRH3 (0.39) HRH3KMT2AALDH1A1GAA
SCHEMBL9601550 0.80 HRH3 (0.40) HRH3KMT2AALDH1A1GAA
SCHEMBL9602782 0.80 HRH3 (0.42) HRH3KMT2AALDH1A1GAATDP1

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
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed