Fumaric Acid

Fumaric Acid

SCHEMBL8181535

C=CC(C)OC(C)C=C.O=C(O)C=CC(=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
HCAR2 Q8TDS4 7/20 0.46
TSHR P16473 5/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39

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 SCHEMBL718707 1.00 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL10917789 0.80 HCAR2 (0.63) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL2469636 0.80 HCAR2 (0.63) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL2469635 0.80 HCAR2 (0.63) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL76624 0.79
Fumaric Acid SCHEMBL8722977 0.78 TSHR (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL23795124 0.76 TP53 (0.33) TSHRTP53GAATDP1
SCHEMBL10407817 0.76
SCHEMBL1352111 0.70
Fumaric Acid SCHEMBL20455851 0.70 TSHR (0.64) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014921-A1 ENZYMATIC FOAM COMPOSITIONS FOR DYEING KERATINOUS FIBRES NOVO NORDISK A/S (DK) 2000-07-05 EP disclosed
WO-1999015137-A1 ENZYMATIC FOAM COMPOSITIONS FOR DYEING KERATINOUS FIBRES NOVO NORDISK A/S (DK) 1999-04-01 WO disclosed
EP-0177765-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1990-03-14 EP disclosed