Fumaric Acid

Fumaric Acid

SCHEMBL9702540

O=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].[Ca+2].[K+].[K+]

nearest known ligand 0.83

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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 13)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.35
KMT2A known ✓ Q03164 1/20 0.35
CA1 P00915 3/20 0.48
CA9 Q16790 1/20 0.48
CA4 P22748 3/20 0.43
FAHD1 Q6P587 1/20 0.43
BBOX1 O75936 1/20 0.39
LDHA P00338 1/20 0.35
BLM P54132 1/20 0.35
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31

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 SCHEMBL105897 0.96 CA1 (0.50) CA1CA9CA4FAHD1BBOX1
Fumaric Acid SCHEMBL122162 0.96
Fumaric Acid SCHEMBL372273 0.96
Fumaric Acid SCHEMBL6468108 0.96 CA1 (0.50) CA1CA9CA4FAHD1BBOX1
Fumaric Acid SCHEMBL6468117 0.96 CA1 (0.50) CA1CA9CA4FAHD1BBOX1
Fumaric Acid SCHEMBL28714104 0.96 CA1 (0.50) CA1CA9CA4FAHD1BBOX1
Fumaric Acid SCHEMBL30895862 0.96 CA1 (0.43) CA1CA9CA4FAHD1BBOX1
Fumaric Acid SCHEMBL105898 0.96 CA1 (0.50) CA1CA9CA4FAHD1BBOX1
Fumaric Acid SCHEMBL122164 0.96
Fumaric Acid SCHEMBL27484728 0.96 CA1 (0.43) CA1CA9CA4FAHD1BBOX1

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-5104939-A Alkylene-alkyl(meth)acrylate copolymer GENERAL ELECTRIC COMPANY (US) 1992-04-14 US disclosed
WO-1988006164-A1 PPE-PA BLENDS WITH TWO IMPACT MODIFIERS GENERAL ELECTRIC COMPANY (US) 1988-08-25 WO disclosed
EP-0236593-A1 Polymer mixture which comprises a polyamide, a polyphenylene ether and an agent to improve the impact strength GENERAL ELECTRIC COMPANY (US) 1987-09-16 EP disclosed