Fumaric Acid

Fumaric Acid

SCHEMBL7265605

COC(=O)n1cc(C(=O)CCc2nc[nH]c2C)c2ccccc21.O=C(O)C=CC(=O)O

nearest known ligand 0.64

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 17)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 7/20 0.47
MEN1 known ✓ O00255 2/20 0.47
HTR3E A5X5Y0 2/20 0.64
HTR3B O95264 2/20 0.64
HTR3A P46098 2/20 0.64
HTR3D Q70Z44 2/20 0.64
HTR3C Q8WXA8 2/20 0.64
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
BLM P54132 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRR1 P24046 1/20 0.34

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 SCHEMBL7265600 1.00 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7273099 0.87 HTR3A (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL7273105 0.87 HTR3A (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7324754 0.85 HTR3A (0.88) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL7324761 0.85 HTR3A (0.88) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL7326640 0.83 HTR3A (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7326639 0.83 HTR3A (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7325596 0.82 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL7315564 0.82 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7315554 0.82 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C

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-0276163-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1988-07-27 EP disclosed