Fumaric Acid

Fumaric Acid

SCHEMBL8092398

C1=N[C@@H](CC2=Cc3ccccc3CC2)CN1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.46

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 14)

geneUniProtsupporting neighboursconfidence
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
ADRA2A P08913 3/20 0.46
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
HTR1A P08908 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 SCHEMBL8092403 1.00 ADRA2A (0.46) ADRA2AMITFHSP90AA1RAB9ALMNA
Fumaric Acid SCHEMBL8085007 1.00 ADRA2A (0.46) ADRA2AMITFHSP90AA1RAB9ALMNA
Fumaric Acid SCHEMBL8091878 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