Fumaric Acid

Fumaric Acid

SCHEMBL1835366

CC(N)O.O=C(O)C=CC(=O)O

nearest known ligand 0.62

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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 0.37
KMT2A known ✓ Q03164 1/20 0.37
GABRP O00591 4/20 0.62
GABRD O14764 4/20 0.62
GABRA1 P14867 4/20 0.62
GABRB1 P18505 4/20 0.62
GABRG2 P18507 4/20 0.62
GABRB3 P28472 4/20 0.62
GABRA5 P31644 4/20 0.62
GABRA3 P34903 4/20 0.62
GABRA2 P47869 4/20 0.62
GABRB2 P47870 4/20 0.62
GABRA4 P48169 4/20 0.62
GABRE P78334 4/20 0.62
GABRA6 Q16445 4/20 0.62
GABRG1 Q8N1C3 4/20 0.62
GABRG3 Q99928 4/20 0.62
GABRQ Q9UN88 4/20 0.62
TSHR P16473 4/20 0.56
TP53 P04637 2/20 0.56

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 SCHEMBL1835364 1.00 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
Maleic Acid SCHEMBL3118041 1.00 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
Fumaric Acid SCHEMBL21145282 0.90 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
Maleic Acid SCHEMBL8957408 0.90 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
Fumaric Acid SCHEMBL21145284 0.90 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
Fumaric Acid SCHEMBL7489586 0.87 TSHR (0.64) GABRPGABRDGABRA1GABRB1GABRG2
Maleic Acid SCHEMBL27875534 0.87 TSHR (0.64) GABRPGABRDGABRA1GABRB1GABRG2
Maleic Acid SCHEMBL27659186 0.87 TSHR (0.64) GABRPGABRDGABRA1GABRB1GABRG2
Crotonic Acid SCHEMBL1833418 0.86 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
Crotonic Acid SCHEMBL1833420 0.86 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed