Fumaric Acid

Fumaric Acid

SCHEMBL9239338

ClCCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.44

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
MEN1 known ✓ O00255 1/20 0.44
KMT2A known ✓ Q03164 1/20 0.44
HRH1 known ✓ P35367 11/20 0.42
HTR2A known ✓ P28223 3/20 0.39
CHRM2 known ✓ P08172 2/20 0.39
DRD2 known ✓ P14416 2/20 0.39
HTR2C known ✓ P28335 2/20 0.39
ADRA2A known ✓ P08913 1/20 0.39
ADRA2B known ✓ P18089 1/20 0.39
CHRM3 known ✓ P20309 1/20 0.39
DRD1 known ✓ P21728 1/20 0.39
KCNH2 known ✓ Q12809 2/20 0.36
HTR1A known ✓ P08908 1/20 0.36
ADRA1A known ✓ P35348 1/20 0.36
HTR2B known ✓ P41595 1/20 0.36
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.41
HTT P42858 1/20 0.41
CHRM1 P11229 2/20 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 SCHEMBL9239444 0.91 MAPK1 (0.45) MAPK1MEN1MAPTKMT2AHRH1
SCHEMBL6995295 0.91 HRH1 (0.43) HRH1HTR2ACHRM2CHRM1DRD2
Fumaric Acid SCHEMBL9240592 0.87 MAPK1 (0.41) MAPK1MEN1MAPTKMT2AHRH1
Fumaric Acid SCHEMBL9386969 0.85 MAPK1 (0.43) MAPK1MEN1MAPTKMT2AHRH1
Fumaric Acid SCHEMBL9386964 0.85 MAPK1 (0.43) MAPK1MEN1MAPTKMT2AHRH1
Fumaric Acid SCHEMBL9385069 0.84 MAPK1 (0.39) MAPK1MEN1MAPTKMT2AHRH1
Fumaric Acid SCHEMBL9385079 0.84 MAPK1 (0.39) MAPK1MEN1MAPTKMT2AHRH1
SCHEMBL6991281 0.82 HRH1 (0.43) HRH1HTTHTR2ACHRM2CHRM1
Fumaric Acid SCHEMBL9386205 0.81 DRD3 (0.37) MAPK1MEN1MAPTKMT2AHRH1
Maleic Acid SCHEMBL9130981 0.81 DRD3 (0.37) MAPK1MEN1MAPTKMT2AHRH1

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-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed