Fumaric Acid

Fumaric Acid

SCHEMBL9682573

CN1CC(Oc2ccccc2)C1.O=C(O)C=CC(=O)O

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 3/20 0.49
HRH1 known ✓ P35367 3/20 0.46
SLC6A2 known ✓ P23975 1/20 0.45
SLC6A3 known ✓ Q01959 1/20 0.45
CHRM2 known ✓ P08172 1/20 0.43
MEN1 known ✓ O00255 1/20 0.41
KMT2A known ✓ Q03164 1/20 0.41
CHRM4 P08173 2/20 0.49
USP30 Q70CQ3 2/20 0.43
HRH2 P25021 1/20 0.42
RIPK1 Q13546 1/20 0.42
SCD O00767 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Maleic Acid SCHEMBL9682566 1.00 CHRM3 (0.49) CHRM3CHRM4HRH1SLC6A2SLC6A3
SCHEMBL9683676 0.86 SLC6A2 (0.56) CHRM3CHRM4HRH1SLC6A2SLC6A3
Fumaric Acid SCHEMBL11048014 0.84 HRH1 (0.41) CHRM3CHRM4HRH1HRH2MEN1
Fumaric Acid SCHEMBL11048023 0.84 HRH1 (0.41) CHRM3CHRM4HRH1HRH2MEN1
Sulfuric Acid SCHEMBL9596786 0.83 CHRM3 (0.47) CHRM3CHRM4SLC6A2SLC6A3USP30
SCHEMBL16707767 0.79 SLC6A2 (0.53) CHRM3CHRM4HRH1SLC6A2SLC6A3
SCHEMBL6123500 0.75 SCD (0.51) CHRM3SLC6A2SLC6A3USP30CHRM2
SCHEMBL714763 0.74 SMN1; SMN2 (0.59) CHRM3CHRM4HRH1SLC6A2SLC6A3
SCHEMBL10262302 0.74 SMN1; SMN2 (0.59) CHRM3CHRM4HRH1SLC6A2SLC6A3
SCHEMBL10261345 0.74 SMN1; SMN2 (0.59) CHRM3CHRM4HRH1SLC6A2SLC6A3

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
US-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed