Fumaric Acid

Fumaric Acid

SCHEMBL9402867

C=CC=C.CC=C(C)C(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.43

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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
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 2/20 0.37
RECQL P46063 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR2 Q8TDS4 4/20 0.36
PTGS1 P23219 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.32
AKR1C3 P42330 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30

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
Butadiene SCHEMBL501645 0.90 ALDH1A1 (0.40) ALDH1A1PTGS1LMNAAKR1C3
Butadiene SCHEMBL464974 0.90 ALDH1A1 (0.40) ALDH1A1PTGS1LMNAAKR1C3
Butadiene SCHEMBL464883 0.90 ALDH1A1 (0.40) ALDH1A1PTGS1LMNAAKR1C3
Fumaric Acid SCHEMBL3815775 0.90 TSHR (0.53) TSHRTP53EGLN1EGLN3ALDH1A1
Butadiene SCHEMBL17699118 0.85 ALDH1A1 (0.36) ALDH1A1PTGS1LMNAAKR1C3
Butadiene SCHEMBL27656929 0.83 ACHE (0.35) TSHRALDH1A1ALOX15TDP1PTGS1
Acrylic Acid SCHEMBL357769 0.82 LMNA (0.56) TSHRTP53ALDH1A1ALOX15HSD17B10
Acrylic Acid SCHEMBL1739613 0.82 LMNA (0.56) TSHRTP53ALDH1A1ALOX15HSD17B10
Propene SCHEMBL7932633 0.82 ALDH1A1 (0.42) TSHRTP53ALDH1A1HSD17B10TDP1
Crotonic Acid SCHEMBL16178256 0.80 TSHR (0.40) TSHRTP53EGLN1EGLN3ALDH1A1

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-5360780-A Image-receiving sheet for thermal transfer printing with a layer containing aggregates of fine particles of thermoplastic resin KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-11-01 US disclosed