Fumaric Acid

Fumaric Acid

SCHEMBL8927919

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

nearest known ligand 0.55

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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 0.55
TSHR P16473 3/20 0.53
TP53 P04637 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53
EGLN3 Q9H6Z9 1/20 0.53
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 2/20 0.39
RECQL P46063 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35

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 SCHEMBL128033 1.00 HCAR2 (0.55) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL460392 1.00 HCAR2 (0.55) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL8927918 1.00 HCAR2 (0.55) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL29356091 1.00 HCAR2 (0.55) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL8563806 0.88 HCAR2 (0.44) HCAR2TSHRTP53EGLN1EGLN3
Monomethyl Fumarate SCHEMBL3262884 0.88 HCAR2 (0.77) HCAR2TSHRTP53EGLN1EGLN3
Monomethyl Fumarate SCHEMBL9797085 0.88 HCAR2 (0.77) HCAR2TSHRTP53EGLN1EGLN3
Acrylic Acid SCHEMBL6856274 0.85
Acetic Acid SCHEMBL9511037 0.81
Maleic Acid SCHEMBL28537821 0.81 HCAR2 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624743-A Ink jet transparencies XEROX CORPORATION (US) 1997-04-29 US claimed