Fumaric Acid

Fumaric Acid

SCHEMBL7568616

O=C(O)/C=C/C(=O)O.O=C(O)O

nearest known ligand 0.90

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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
KMT2A known ✓ Q03164 2/20 0.41
MEN1 known ✓ O00255 1/20 0.41
TSHR P16473 4/20 0.90
TP53 P04637 1/20 0.90
EGLN1 Q9GZT9 1/20 0.90
EGLN3 Q9H6Z9 1/20 0.90
HCAR2 Q8TDS4 4/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
GABRR1 P24046 2/20 0.44
GABRR2 P28476 2/20 0.44
BLM P54132 2/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
APEX1 P27695 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43

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 SCHEMBL5556979 1.00 TSHR (0.90) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL4838658 1.00 TSHR (0.90) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL4838648 1.00 TSHR (0.90) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL8584098 0.95 TSHR (0.82) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL3254191 0.95 TSHR (0.82) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL2046433 0.95 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL2046430 0.95 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL3998225 0.95
Maleic Acid SCHEMBL20487516 0.95 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL6875 0.95 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104520376-B Propylene oxide acids polymerizable composition for optical material and the preparation method of propylene oxide acids optical material 可奥熙搜路司有限公司 2016-10-05 CN disclosed
EP-0876499-B1 PROCESS FOR THE PREPARATION OF ASPARTIC ACID AMYLUM EUROPE NV (BE) 2002-09-04 EP disclosed
US-5972662-A Process for the preparation of aspartic acid AMYLUM N.V. (BE) 1999-10-26 US disclosed
EP-0876499-A1 PROCESS FOR THE PREPARATION OF ASPARTIC ACID AMYLUM, N.V. (BE) 1998-11-11 EP disclosed
WO-1997027312-A1 PROCESS FOR THE PREPARATION OF ASPARTIC ACID AMYLUM N.V. (BE) 1997-07-31 WO disclosed