Fumaric Acid

Fumaric Acid

SCHEMBL7316800

Cc1[nH]cnc1C=CC(=O)c1cn(C)c2ccccc12.O=C(O)C=CC(=O)O

nearest known ligand 0.53

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
KMT2A known ✓ Q03164 4/20 0.45
MEN1 known ✓ O00255 3/20 0.45
ADRA2A known ✓ P08913 1/20 0.42
ADRA2B known ✓ P18089 1/20 0.42
ADRA2C known ✓ P18825 1/20 0.42
SLC6A4 known ✓ P31645 1/20 0.42
HTR2B known ✓ P41595 1/20 0.42
KCNH2 known ✓ Q12809 1/20 0.42
HTR3A P46098 3/20 0.53
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
ABCG2 Q9UNQ0 2/20 0.50
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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 SCHEMBL7316790 1.00 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL11233424 0.81 POLB (0.62) ABCG2KMT2AMEN1MAPTNPC1
Fumaric Acid SCHEMBL9655909 0.80 ALDH1A1 (0.52) ABCG2KMT2AMEN1MAPTNPC1
Maleic Acid SCHEMBL9655896 0.80 ALDH1A1 (0.52) ABCG2KMT2AMEN1MAPTNPC1
Maleic Acid SCHEMBL9654323 0.78 MAPT (0.47) KMT2AMEN1MAPTNPC1RAB9A
Fumaric Acid SCHEMBL9654328 0.78 MAPT (0.47) KMT2AMEN1MAPTNPC1RAB9A
Fumaric Acid SCHEMBL7324761 0.77 HTR3A (0.88) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL7324754 0.77 HTR3A (0.88) HTR3AHTR3EHTR3BHTR3DHTR3C
Fumaric Acid SCHEMBL7314349 0.76 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
Maleic Acid SCHEMBL7314340 0.76 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C

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
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed
EP-0242973-A1 Indole derivatives, method for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1987-10-28 EP disclosed