Fumaric Acid

Fumaric Acid

SCHEMBL8605709

CC(=O)OC(C)=O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.67

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Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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
ALDH1A1 P00352 6/20 0.67
TSHR P16473 4/20 0.67
TP53 P04637 1/20 0.60
EGLN1 Q9GZT9 1/20 0.60
EGLN3 Q9H6Z9 1/20 0.60
HCAR2 Q8TDS4 6/20 0.52
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 2/20 0.46
RECQL P46063 2/20 0.46
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 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
Maleic Acid SCHEMBL27671940 1.00 ALDH1A1 (0.67) ALDH1A1TSHRTP53EGLN1EGLN3
SCHEMBL9474617 0.89 HCAR2 (0.56) ALDH1A1TSHRTP53EGLN1EGLN3
SCHEMBL8760886 0.89 HCAR2 (0.56) ALDH1A1TSHRTP53EGLN1EGLN3
SCHEMBL8760880 0.89 HCAR2 (0.56) ALDH1A1TSHRTP53EGLN1EGLN3
SCHEMBL11044892 0.87 HCAR2 (0.54) ALDH1A1TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL10493320 0.87 HSD17B10 (0.70) ALDH1A1TSHRTP53EGLN1EGLN3
Hydrogen Peroxide SCHEMBL15610564 0.86
Hydrogen Peroxide SCHEMBL28219767 0.86 TSHR (0.91) ALDH1A1TSHRTP53EGLN1EGLN3
SCHEMBL28864083 0.86
Fumaric Acid SCHEMBL27663516 0.84 HCAR2 (0.65) ALDH1A1TSHRTP53EGLN1EGLN3

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-0343981-B2 Use of an additive in a fuel oil composition as a flow improver EXXON CHEMICAL PATENTS INC (US) 1998-02-25 EP disclosed