Fumaric Acid

Fumaric Acid

SCHEMBL9718755

COC(=O)COCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

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
HRH1 known ✓ P35367 5/20 0.45
CHRM2 known ✓ P08172 2/20 0.45
ADRA2A known ✓ P08913 2/20 0.45
DRD2 known ✓ P14416 2/20 0.45
ADRA2B known ✓ P18089 2/20 0.45
CHRM3 known ✓ P20309 2/20 0.45
DRD1 known ✓ P21728 2/20 0.45
HTR2A known ✓ P28223 2/20 0.45
HTR2C known ✓ P28335 2/20 0.45
HTR1A known ✓ P08908 1/20 0.45
ADRA2C known ✓ P18825 1/20 0.45
SLC6A2 known ✓ P23975 1/20 0.45
ADRA1D known ✓ P25100 1/20 0.45
SLC6A4 known ✓ P31645 1/20 0.45
ADRA1A known ✓ P35348 1/20 0.45
HTR2B known ✓ P41595 1/20 0.45
MTOR known ✓ P42345 1/20 0.45
SLC6A3 known ✓ Q01959 1/20 0.45
KCNH2 known ✓ Q12809 1/20 0.45
MEN1 known ✓ O00255 3/20 0.44

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 SCHEMBL9718752 1.00 SETD7 (0.51) SETD7HRH1HTTCHRM2CHRM4
SCHEMBL9718787 0.94 SETD7 (0.57) SETD7HRH1HTTCHRM2CHRM4
SCHEMBL9718753 0.84 SETD7 (0.57) SETD7HRH1HTTCHRM2CHRM4
Hydrochloric Acid SCHEMBL9718774 0.83 SETD7 (0.56) SETD7HRH1HTTCHRM2CHRM4
SCHEMBL9718730 0.82 SETD7 (0.51) SETD7HRH1CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL9718822 0.78 SETD7 (0.65) SETD7HRH1HTTCHRM2CHRM4
SCHEMBL9718757 0.76 KCNH2 (0.49) SETD7HRH1ALDH1A1TP53TSHR
SCHEMBL9718762 0.75 SETD7 (0.61) SETD7HRH1HTTCHRM2CHRM4
SCHEMBL4514999 0.75 SETD7 (0.58) SETD7HRH1HTTCHRM2CHRM4
SCHEMBL9034258 0.75 SETD7 (0.60) SETD7HRH1HTTCHRM2CHRM4

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-5095022-A Antiallergens HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed