Fumaric Acid

Fumaric Acid

SCHEMBL8434595

CC[N+](CC)(CC)Cc1ccccc1.CC[N+](CC)(CC)Cc1ccccc1.O=C([O-])/C=C/C(=O)[O-]

nearest known ligand 0.46

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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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.46
KMT2A known ✓ Q03164 1/20 0.46
CCR5 known ✓ P51681 2/20 0.36
CHRM2 known ✓ P08172 1/20 0.36
CHRM3 known ✓ P20309 1/20 0.36
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
TAS2R10 Q9NYW0 1/20 0.46
CYP1A2 P05177 1/20 0.42
CHRNA7 P36544 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
ALPL P05186 1/20 0.41
POLB P06746 1/20 0.41
ALPG P10696 1/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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 SCHEMBL3957177 1.00 MEN1 (0.46) MEN1LMNACYP2D6TSHRKMT2A
Fumaric Acid SCHEMBL3957169 1.00 MEN1 (0.46) MEN1LMNACYP2D6TSHRKMT2A
Fumaric Acid SCHEMBL3957175 0.95 LMNA (0.43) MEN1LMNACYP2D6TSHRKMT2A
Bicarbonate SCHEMBL315102 0.89 LMNA (0.50) MEN1LMNACYP2D6TSHRKMT2A
Bicarbonate SCHEMBL315104 0.89 LMNA (0.50) MEN1LMNACYP2D6TSHRKMT2A
Acetic Acid SCHEMBL306020 0.87 LMNA (0.49) MEN1LMNACYP2D6TSHRKMT2A
Oxalic Acid SCHEMBL1050278 0.87 LMNA (0.49) MEN1LMNACYP2D6TSHRKMT2A
Maleic Acid SCHEMBL3957171 0.86 ALDH1A1 (0.47) MEN1LMNACYP2D6TSHRKMT2A
Oxalic Acid SCHEMBL1050280 0.86 LMNA (0.48) MEN1LMNACYP2D6TSHRKMT2A
Bicarbonate SCHEMBL7442433 0.86 MEN1 (0.48) MEN1LMNACYP2D6TSHRKMT2A

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-5933693-A Electroconductive elastic member and electrophotographic apparatus using same BRIDGESTONE CORPORATION (JP) 1999-08-03 US disclosed