Fumaric Acid

Fumaric Acid

SCHEMBL8091878

C1=NC(CC2=Cc3ccccc3CC2)CN1.O=C(O)C=CC(=O)O

nearest known ligand 0.46

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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 14)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 3/20 0.46
HTR1A known ✓ P08908 1/20 0.32
DRD2 known ✓ P14416 1/20 0.32
HTR2A known ✓ P28223 1/20 0.32
HTR2C known ✓ P28335 1/20 0.32
HRH1 known ✓ P35367 1/20 0.32
HTR2B known ✓ P41595 1/20 0.32
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32

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 SCHEMBL8092398 1.00 ADRA2A (0.46) ADRA2AMITFHSP90AA1RAB9ALMNA
Fumaric Acid SCHEMBL8092403 1.00 ADRA2A (0.46) ADRA2AMITFHSP90AA1RAB9ALMNA
Fumaric Acid SCHEMBL8085007 1.00 ADRA2A (0.46) ADRA2AMITFHSP90AA1RAB9ALMNA
Fumaric Acid SCHEMBL8085005 1.00 ADRA2A (0.46) ADRA2AMITFHSP90AA1RAB9ALMNA
Fumaric Acid SCHEMBL8091870 1.00 ADRA2A (0.46) ADRA2AMITFHSP90AA1RAB9ALMNA
Fumaric Acid SCHEMBL8097779 0.90 ACHE (0.39) ADRA2ALMNABLMHTR1AHTR2A
Fumaric Acid SCHEMBL8097770 0.90 ACHE (0.39) ADRA2ALMNABLMHTR1AHTR2A
SCHEMBL6949362 0.89 ADRA2A (0.56) ADRA2AHTR1ADRD2HTR2AHTR2C
SCHEMBL6949759 0.89 ADRA2A (0.56) ADRA2AHTR1ADRD2HTR2AHTR2C
SCHEMBL6958891 0.89 ADRA2A (0.56) ADRA2AHTR1ADRD2HTR2AHTR2C

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-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed