Fumaric Acid

Fumaric Acid

SCHEMBL8986948

C=CC(=O)[O-].C=CC([NH-])=O.O=C([O-])/C=C\C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.61

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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 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
FGFR4 P22455 1/20 0.32
BBOX1 O75936 1/20 0.31
CA4 P22748 1/20 0.30
FAHD1 Q6P587 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 SCHEMBL2389920 0.91 LMNA (0.39) LMNACA1CA9ALDH1A1TSHR
Acrylic Acid SCHEMBL6913278 0.82
Acrylic Acid SCHEMBL1082680 0.82 LMNA (0.47) LMNACA1ALDH1A1TSHRFGFR4
Acrylic Acid SCHEMBL16257 0.82
Acrylamide SCHEMBL2689852 0.82
Acrylic Acid SCHEMBL819698 0.82 LMNA (0.47) LMNACA1CA9ALDH1A1TSHR
Fumaric Acid SCHEMBL23629433 0.80 LMNA (0.59) LMNACA1CA9ALDH1A1TSHR
SCHEMBL31556667 0.79 CA1 (0.36) CA1CA9TSHRBBOX1CA4
Acrylic Acid SCHEMBL9418472 0.78
Acrylic Acid SCHEMBL21246905 0.78 LMNA (0.44) LMNACA1ALDH1A1TSHRFGFR4

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
US-5520820-A ACRYLAMIDE-ACRYLIC ACID-MALEIC ACID TERPOLYMER FLOCCULANT ALLIED COLLOIDS LIMITED (GB) 1996-05-28 US disclosed