Fumaric Acid

Fumaric Acid

SCHEMBL6853046

CC[N+](C)(C)C.O=C([O-])/C=C\C(=O)[O-].[H+]

nearest known ligand 0.56

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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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.32
HRH1 known ✓ P35367 1/20 0.32
KMT2A known ✓ Q03164 1/20 0.32
CPT2 known ✓ P23786 1/20 0.32
BBOX1 O75936 5/20 0.56
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
SLC22A16 Q86VW1 1/20 0.34
CYP1A2 P05177 1/20 0.32
CPT1A P50416 1/20 0.32
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 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 SCHEMBL4917599 0.97 BBOX1 (0.58) BBOX1CA1CA9SLC22A16MEN1
Fumaric Acid SCHEMBL4917936 0.97 BBOX1 (0.58) BBOX1CA1CA9SLC22A16MEN1
Fumaric Acid SCHEMBL4951502 0.97 BBOX1 (0.58) BBOX1CA1CA9SLC22A16MEN1
Fumaric Acid SCHEMBL4926059 0.88 BBOX1 (0.50) BBOX1CA1CA9TSHR
Fumaric Acid SCHEMBL4953256 0.88 BBOX1 (0.50) BBOX1CA1CA9TSHR
Fumaric Acid SCHEMBL4926168 0.88 BBOX1 (0.50) BBOX1CA1CA9TSHR
Fumaric Acid SCHEMBL2457500 0.87 BBOX1 (0.48) BBOX1CA1CA9FFAR3HDAC3
Fumaric Acid SCHEMBL4953861 0.84 BBOX1 (0.50) BBOX1CA1CA9SLC22A16FFAR3
Tetrylammonium SCHEMBL3864261 0.84 BBOX1 (0.44) BBOX1CA1CA9FFAR3HDAC3
Tetrylammonium SCHEMBL11155692 0.84 BBOX1 (0.44) BBOX1CA1CA9FFAR3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708452-B1 Ion-conductive polymer electrolyte, method for producing the electrolyte and capacitors using the electrolyte MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2004-05-26 EP disclosed
US-6043975-A ELECTROLYTE IS COPOLYMER OF A HYDROXYALKYL (METH) ACRYLATE OR VINYLIDENE CARBONATE AND AMMONIUM CARBOXYLATE SUCH AS TRIETHYLMETHYLAMMONIUM HYDROGEN MALEATE (MAH3E1M), IN WHICH IONS DISSOCIATED FROM MAH3E1M SERVE AS THE CONDUCTIVE SPECIES MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2000-03-28 US disclosed
EP-0684619-B1 Ion-conductive polymer electrolyte and electrolytic capacitor using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2000-03-08 EP disclosed
US-5900182-A SOLID ELECTROLYTE CONTAINING COPOLYMERS OF HYDROXYALKYL ACRYLATES AND QUATERNARY AMMONIUM OR MORPHOLINIUM CARBOXYLATES OR DICARBOXYLATES, STORAGE STABILITY, HEAT RESISTANCE, HIGH CONDUCTIVITY MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1999-05-04 US disclosed
EP-0708452-A1 Ion-conductive polymer electrolyte, method for producing the electrolyte and capacitors using the electrolyte MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1996-04-24 EP disclosed