Fumaric Acid

Fumaric Acid

SCHEMBL9236129

CN(C)CCNc1ccc(-c2nn(Cc3ccccc3Cl)c3ncccc23)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.42

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
KCNH2 known ✓ Q12809 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
ATM Q13315 1/20 0.39
KDR P35968 1/20 0.38
NAMPT P43490 3/20 0.38
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
MAPT P10636 2/20 0.37
KAT2B Q92831 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
PDE5A O76074 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
RORC P51449 1/20 0.35
BLM P54132 1/20 0.35
LMNA P02545 1/20 0.35

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 SCHEMBL9236122 1.00 ADORA3 (0.42) ADORA3KCNH2PTGDR2ATMKDR
SCHEMBL9877191 0.92 ADORA3 (0.41) ADORA3KCNH2PTGDR2KDRNAMPT
Maleic Acid SCHEMBL9232273 0.82 NAMPT (0.52) NAMPTMAPTKAT2BHPGDTP53
Fumaric Acid SCHEMBL9232280 0.82 NAMPT (0.52) NAMPTMAPTKAT2BHPGDTP53
SCHEMBL9236247 0.81 KAT2B (0.44) ADORA3KCNH2NAMPTMAPTKAT2B
Fumaric Acid SCHEMBL9236891 0.77 LMNA (0.40) ADORA3KCNH2MAPTBLMLMNA
Maleic Acid SCHEMBL9236884 0.77 LMNA (0.40) ADORA3KCNH2MAPTBLMLMNA
SCHEMBL9876982 0.75 GAA (0.48) NAMPTMAPTKAT2BHPGDLMNA
Fumaric Acid SCHEMBL9232352 0.73 HRH3 (0.46) KCNH2PTGDR2GUCY1A1GUCY1B1MAPT
Maleic Acid SCHEMBL9232346 0.73 HRH3 (0.46) KCNH2PTGDR2GUCY1A1GUCY1B1MAPT

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-0641564-A1 OPTICALLY ACTIVE CONDENSED PYRAZOLE COMPOUND FOR USE IN TREATING THROMBOCYTOPENIA AND ERYTHROPENIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed