Fumaric Acid

Fumaric Acid

SCHEMBL8092908

Fc1ccc2c(c1)CC(CC1CNC=N1)CC2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 6/20 0.38
SLC6A2 known ✓ P23975 4/20 0.33
DRD2 known ✓ P14416 1/20 0.31
HTR2A known ✓ P28223 1/20 0.31
HTR2B known ✓ P41595 1/20 0.31
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PRMT5 O14744 1/20 0.32
CYP19A1 P11511 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPK1 P28482 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
DRD3 P35462 1/20 0.31
MCHR1 Q99705 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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 SCHEMBL8092913 1.00 SLC6A4 (0.38) SLC6A4ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL6950989 0.90 SLC6A4 (0.45) SLC6A4ADRA2AADRA2BADRA2CHDAC8
Fumaric Acid SCHEMBL8097411 0.86 CYP19A1 (0.38) ADRA2ACYP19A1HTR1A
Fumaric Acid SCHEMBL8097408 0.86 CYP19A1 (0.38) ADRA2ACYP19A1HTR1A
SCHEMBL6949357 0.81 SLC6A4 (0.56) SLC6A4ADRA2AADRA2BADRA2CHTR1A
Fumaric Acid SCHEMBL8091705 0.78 ALDH1A1 (0.33)
Fumaric Acid SCHEMBL8091698 0.78 ALDH1A1 (0.33)
SCHEMBL6950361 0.74 CYP19A1 (0.46) ADRA2ACYP19A1HTR1A
SCHEMBL8092912 0.74 SLC6A4 (0.35) SLC6A4ADRA2AADRA2BADRA2CHDAC8
Fumaric Acid SCHEMBL8097507 0.73 ADRA2A (0.50) ADRA2A

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