Fumaric Acid

Fumaric Acid

SCHEMBL8959697

NCCn1ccc2cc(F)ccc21.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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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 18)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.48
HTR2C known ✓ P28335 1/20 0.48
PPARG known ✓ P37231 4/20 0.41
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR6 P50406 1/20 0.40
CYP2C19 P33261 1/20 0.40
FABP4 P15090 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39

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 SCHEMBL8959686 1.00 HTR2A (0.48) HTR2AHTR2CCDK4CCND1P2RX7
SCHEMBL8959780 0.87 HTR2C (0.59) HTR2AHTR2CCDK4CCND1P2RX7
Fumaric Acid SCHEMBL8959483 0.84 KMO (0.53) HTR2AHTR2CCDK4CCND1LMNA
Fumaric Acid SCHEMBL8959489 0.84 KMO (0.53) HTR2AHTR2CCDK4CCND1LMNA
Fumaric Acid SCHEMBL23927905 0.83 HTR2A (0.56) HTR2AHTR2CCDK4CCND1ALDH1A1
Fumaric Acid SCHEMBL8959632 0.83 HDAC6 (0.54) HTR2AHTR2CLMNA
Fumaric Acid SCHEMBL8959620 0.83 HDAC6 (0.54) HTR2AHTR2CLMNA
Fumaric Acid SCHEMBL8959795 0.81 HTR2C (0.78) HTR2AHTR2C
Fumaric Acid SCHEMBL8959669 0.81 HTR2C (0.78) HTR2AHTR2C
Fumaric Acid SCHEMBL8959482 0.81 HTR2C (0.78) HTR2AHTR2C

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-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed