Fumaric Acid

Fumaric Acid

SCHEMBL8096698

COc1cccc2c1C=C(CC1CNC=N1)CC2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.53

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A4 known ✓ P31645 1/20 0.32
ADRA2A P08913 3/20 0.34
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
PARP1 P09874 1/20 0.30

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 SCHEMBL8096703 1.00 ADRA2A (0.34) ADRA2ALMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL6952658 0.91 ADRA2A (0.40) ADRA2ABCHEACHE
Fumaric Acid SCHEMBL8092830 0.87 ADRA2A (0.36) ADRA2ALMNA
Fumaric Acid SCHEMBL8092823 0.87 ADRA2A (0.36) ADRA2ALMNA
Fumaric Acid SCHEMBL8092419 0.85 ADRA2A (0.50) ADRA2A
Fumaric Acid SCHEMBL8092413 0.85 ADRA2A (0.50) ADRA2A
Fumaric Acid SCHEMBL8092586 0.85 ADRA2A (0.50) ADRA2AALDH1A1
Fumaric Acid SCHEMBL8092594 0.85 ADRA2A (0.50) ADRA2AALDH1A1
Fumaric Acid SCHEMBL8091870 0.80 ADRA2A (0.46) ADRA2ALMNA
Fumaric Acid SCHEMBL8092403 0.80 ADRA2A (0.46) ADRA2ALMNA

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