Fumaric Acid

Fumaric Acid

SCHEMBL28098613

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

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

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
MEN1 known ✓ O00255 1/20 0.46
KMT2A known ✓ Q03164 1/20 0.46
FFAR3 O14843 1/20 0.72
HDAC3 O15379 1/20 0.72
HDAC1 Q13547 1/20 0.72
HDAC2 Q92769 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
TSHR P16473 6/20 0.50
TP53 P04637 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.50
HCAR2 Q8TDS4 3/20 0.48
AKR1B1 P15121 1/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46

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 SCHEMBL28313754 1.00 FFAR3 (0.72) FFAR3HDAC3HDAC1HDAC2HDAC8
Maleic Acid SCHEMBL8411552 0.95 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Fumaric Acid SCHEMBL8411558 0.95 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL29173646 0.89 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL9066878 0.88
Butyric Acid SCHEMBL5703921 0.85 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL1332215 0.85
Butyric Acid SCHEMBL8458708 0.85 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL8457839 0.85 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL20678495 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105884637-B Gamma aminobutyric acid fumarate and its application in additive for animal feed is prepared 广州先至饲料添加剂有限公司 2017-12-12 CN disclosed
CN-105884637-A Gamma-aminobutyric acid fumarate and application of gamma-aminobutyric acid fumarate in preparation of feed additive for animals 广州先至饲料添加剂有限公司 2016-08-24 CN disclosed