Fumaric Acid

Fumaric Acid

SCHEMBL7378555

CC1Oc2c(cccc2C(=O)NC2CN3CCC2CC3)NC1=O.O=C(O)C=CC(=O)O

nearest known ligand 0.51

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 2)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 1/20 0.46
HTR3A P46098 2/20 0.46

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
SCHEMBL31387673 0.79 HTR3A (0.58) HTR3AKCNH2
SCHEMBL7289440 0.79 HTR3A (0.58) HTR3AKCNH2
Hydrochloric Acid SCHEMBL7289083 0.79 HTR3A (0.57) HTR3AKCNH2
Maleic Acid SCHEMBL10401263 0.77 PKM (0.48)
SCHEMBL7375497 0.75 HTR3A (0.50) HTR3AKCNH2
Fumaric Acid SCHEMBL7270720 0.75 HTR2A (0.48) HTR3AKCNH2
Fumaric Acid SCHEMBL7270730 0.75 HTR2A (0.48) HTR3AKCNH2
Fumaric Acid SCHEMBL7270255 0.73
Fumaric Acid SCHEMBL7270242 0.73
SCHEMBL8939964 0.70 PKM (0.54)

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
EP-0313393-A2 Benzoxazine compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-26 EP disclosed