Fumaric Acid

Fumaric Acid

SCHEMBL9689356

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

nearest known ligand 0.60

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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 0.60
TP53 P04637 1/20 0.60
EGLN1 Q9GZT9 1/20 0.60
EGLN3 Q9H6Z9 1/20 0.60
HCAR2 Q8TDS4 4/20 0.52
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
NMT1 P30419 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 2/20 0.40
RECQL P46063 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 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
Fumaric Acid SCHEMBL9549887 1.00 TSHR (0.60) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL5875198 0.86 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL5875238 0.86 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL3654808 0.86 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL5875179 0.86 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL3654811 0.86 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL5875187 0.86 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL27810427 0.84 TSHR (0.56) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL28409812 0.83 TSHR (0.64) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL41154 0.82

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-0484573-A1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-13 EP disclosed