Fumaric Acid

Fumaric Acid

SCHEMBL365677

NC(N)=O.O=C(O)C=CC(=O)O

nearest known ligand 0.75

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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 0.43
KMT2A known ✓ Q03164 1/20 0.43
TSHR P16473 4/20 0.75
TP53 P04637 1/20 0.75
EGLN1 Q9GZT9 1/20 0.75
EGLN3 Q9H6Z9 1/20 0.75
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
OR51E2 Q9H255 1/20 0.50
GABRR1 P24046 2/20 0.47
GABRR2 P28476 2/20 0.47
BLM P54132 2/20 0.47
GABRR3 A8MPY1 1/20 0.47
APEX1 P27695 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.46
CYP2C9 P11712 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
Maleic Acid SCHEMBL9296084 1.00 TSHR (0.75) TSHRTP53EGLN1EGLN3TDP1
Fumaric Acid SCHEMBL365675 1.00 TSHR (0.75) TSHRTP53EGLN1EGLN3TDP1
Maleic Acid SCHEMBL15239556 0.92 TSHR (0.75) TSHRTP53EGLN1EGLN3TDP1
Fumaric Acid SCHEMBL9116535 0.92 TSHR (0.75) TSHRTP53EGLN1EGLN3TDP1
Fumaric Acid SCHEMBL9116526 0.92 TSHR (0.75) TSHRTP53EGLN1EGLN3TDP1
Fumaric Acid SCHEMBL1924598 0.87 TSHR (0.82) TSHRTP53EGLN1EGLN3TDP1
Fumaric Acid SCHEMBL27634187 0.87 TSHR (0.82) TSHRTP53EGLN1EGLN3TDP1
Maleic Acid SCHEMBL15660586 0.87 TSHR (0.82) TSHRTP53EGLN1EGLN3TDP1
Maleic Acid SCHEMBL1924596 0.87 TSHR (0.82) TSHRTP53EGLN1EGLN3TDP1
Fumaric Acid SCHEMBL27654460 0.87 TSHR (0.82) TSHRTP53EGLN1EGLN3TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009538-A2 ADIPOCYTE-DERIVED MEMBRANE EXTRACT WITH BIOLOGICAL ACTIVITY RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-19 WO disclosed
US-5371180-A Prepared by reaction of maleic acid with urea followed by hydrolysis BAYER AG (DE) 1994-12-06 US disclosed