Fumaric Acid

Fumaric Acid

SCHEMBL7276049

O=C(NC1CN2CCC1CC2)c1cc(Cl)cc2c1OCCN2Cc1ccccc1Cl.O=C(O)/C=C/C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 0.52
SLC6A4 known ✓ P31645 1/20 0.52
HRH1 known ✓ P35367 1/20 0.52
KCNH2 known ✓ Q12809 1/20 0.52
HTR3A P46098 2/20 0.54
PDE4D Q08499 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.52

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 SCHEMBL7276059 1.00 HTR3A (0.54) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270674 0.92 HTR3A (0.57) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270689 0.92 HTR3A (0.57) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270309 0.87 HTR3A (0.54) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270297 0.87 HTR3A (0.54) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270767 0.87 HTR3A (0.55) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270760 0.87 HTR3A (0.55) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7268699 0.86 HTR3A (0.60) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7268689 0.86 HTR3A (0.60) HTR3AHTR2ASLC6A4HRH1PDE4D
Fumaric Acid SCHEMBL7270304 0.85 HTR3A (0.53) 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