Fumaric Acid

Fumaric Acid

SCHEMBL8959622

COc1cn(CCN)c2ccc(F)cc12.O=C(O)C=CC(=O)O

nearest known ligand 0.48

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
FLT3 known ✓ P36888 1/20 0.38
SLC6A2 known ✓ P23975 1/20 0.37
SLC6A4 known ✓ P31645 1/20 0.37
EGFR known ✓ P00533 1/20 0.37
HTR6 P50406 2/20 0.48
ICMT O60725 4/20 0.42
GSK3B P49841 2/20 0.39
PLA2G4A P47712 1/20 0.38
KDR P35968 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
IDO1 P14902 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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 SCHEMBL8959605 1.00 HTR6 (0.48) HTR6ICMTGSK3BPLA2G4AKDR
SCHEMBL8959690 0.89 HTR6 (0.51) HTR6ICMTGSK3BKDRFLT3
Fumaric Acid SCHEMBL8959560 0.78 TRPM5 (0.36) ICMTCA2CA5ACA9LMNA
Fumaric Acid SCHEMBL8959571 0.78 TRPM5 (0.36) ICMTCA2CA5ACA9LMNA
SCHEMBL8959614 0.75 ICMT (0.39) ICMTPLA2G4APOLBCNR1CNR2
Fumaric Acid SCHEMBL8959756 0.73 TRPM5 (0.47) GSK3BKDRFLT3ALDH1A1
Fumaric Acid SCHEMBL8959767 0.73 TRPM5 (0.47) GSK3BKDRFLT3ALDH1A1
Fumaric Acid SCHEMBL8959697 0.73 HTR2A (0.48) HTR6LMNAKDM4EALDH1A1
Fumaric Acid SCHEMBL8959686 0.73 HTR2A (0.48) HTR6LMNAKDM4EALDH1A1
SCHEMBL8959603 0.69 RAB9A (0.43) ICMTPLA2G4APOLBMAPTNPSR1

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