Fumaric Acid

Fumaric Acid

SCHEMBL11261244

NCC1Nc2ccc(Cl)cc2Oc2ccccc21.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
MEN1 known ✓ O00255 1/20 0.35
KMT2A known ✓ Q03164 1/20 0.35
CHRM2 known ✓ P08172 1/20 0.34
HTR1A known ✓ P08908 1/20 0.34
ADRA2A known ✓ P08913 1/20 0.34
DRD2 known ✓ P14416 1/20 0.34
ADRA2B known ✓ P18089 1/20 0.34
ADRA2C known ✓ P18825 1/20 0.34
DRD1 known ✓ P21728 1/20 0.34
SLC6A2 known ✓ P23975 1/20 0.34
ADRA1D known ✓ P25100 1/20 0.34
HTR2A known ✓ P28223 1/20 0.34
HTR2C known ✓ P28335 1/20 0.34
SLC6A4 known ✓ P31645 1/20 0.34
ADRA1A known ✓ P35348 1/20 0.34
HRH1 known ✓ P35367 1/20 0.34
ADRA1B known ✓ P35368 1/20 0.34
HTR2B known ✓ P41595 1/20 0.34
SLC6A3 known ✓ Q01959 1/20 0.34
KCNH2 known ✓ Q12809 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
Fumaric Acid SCHEMBL11261237 1.00 HRH2 (0.49) HRH2HRH4LMNAL3MBTL1TP53
Fumaric Acid SCHEMBL11101572 0.91 HRH2 (0.52) HRH2HRH4LMNAL3MBTL1TP53
Fumaric Acid SCHEMBL11263353 0.91 HRH2 (0.52) HRH2HRH4LMNAL3MBTL1TP53
SCHEMBL11098676 0.89 HTR2A (0.40) HRH2LMNAATMHSD17B1HSD17B2
Fumaric Acid SCHEMBL11097331 0.89 HRH2 (0.52) HRH2HRH4LMNAL3MBTL1TP53
Fumaric Acid SCHEMBL11251972 0.89 HRH2 (0.52) HRH2HRH4LMNAL3MBTL1TP53
SCHEMBL11098945 0.80 HTR2A (0.43) HRH2LMNAMAPK1MEN1MAPT
Fumaric Acid SCHEMBL11248576 0.78 HTR2A (0.45) HRH2LMNAL3MBTL1TP53MAPK1
Fumaric Acid SCHEMBL11248605 0.78 HTR2A (0.45) HRH2LMNAL3MBTL1TP53MAPK1
SCHEMBL11101229 0.75 LMNA (0.54) LMNAL3MBTL1CYP2C9ALOX5ATM

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-4313931-A ANTIHISTAMINES, ANTISEROTONINE AGENTS, ANTIALLERGENS, BRONCHODILATOR AGENTS, ANTIANAPHYLACTIC AGENTS BOEHRINGER INGELHEIM KG (DE) 1982-02-02 US disclosed