Fumaric Acid

Fumaric Acid

SCHEMBL7269270

CN1CCOc2c(C(=O)NC3CN4CCC3CC4)cc(Br)cc21.O=C(O)C=CC(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

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 8)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.51
SLC6A4 known ✓ P31645 1/20 0.51
HRH1 known ✓ P35367 1/20 0.51
KCNH2 known ✓ Q12809 1/20 0.51
HTR3A P46098 2/20 0.51
PDE4D Q08499 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.51

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 SCHEMBL7269252 1.00 HTR3A (0.51) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7279819 0.90 HTR3A (0.52) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7279829 0.90 HTR3A (0.52) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7279951 0.89 HTR3A (0.51) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7279960 0.89 HTR3A (0.51) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270720 0.85 HTR2A (0.48) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270730 0.85 HTR2A (0.48) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7271559 0.83 HTR3A (0.56) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7270366 0.82 HTR3A (0.56) HTR3AHTR2ASLC6A4HRH1PDE4D
SCHEMBL7269326 0.82 HTR3A (0.72) HTR3AHTR2ASLC6A4HRH1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed