Fumaric Acid

Fumaric Acid

SCHEMBL9865075

CN(C)CCCOc1ccc(N2N=C3c4ccccc4OCC3CC2=O)cc1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.44

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
SLC6A4 known ✓ P31645 1/20 0.39
HRH1 known ✓ P35367 1/20 0.36
MAOB P27338 8/20 0.44
MAOA P21397 4/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
CACNA1B Q00975 2/20 0.39
CACNA1H O95180 1/20 0.39
PDE5A O76074 1/20 0.39
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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 SCHEMBL10445064 1.00 MAOB (0.44) MAOBMAOAPOLBL3MBTL1BCHE
Fumaric Acid SCHEMBL9602434 0.84 KMT2A (0.42) MAOBPOLBL3MBTL1BCHEACHE
Fumaric Acid SCHEMBL9602442 0.84 KMT2A (0.42) MAOBPOLBL3MBTL1BCHEACHE
SCHEMBL9865738 0.79 TOP1 (0.38) MAOBMAOABCHEACHEPDE5A
Fumaric Acid SCHEMBL9865899 0.77 ACHE (0.38) POLBL3MBTL1ACHECACNA1BALDH1A1
Maleic Acid SCHEMBL9865891 0.77 ACHE (0.38) POLBL3MBTL1ACHECACNA1BALDH1A1
SCHEMBL9601582 0.76 MAPK14 (0.40) MAOBCACNA1BALDH1A1KDM4E
Fumaric Acid SCHEMBL10445212 0.75 KMT2A (0.40) POLBL3MBTL1ALDH1A1KDM4E
Fumaric Acid SCHEMBL9865749 0.75 KMT2A (0.40) POLBL3MBTL1ALDH1A1KDM4E
Fumaric Acid SCHEMBL9867764 0.74 L3MBTL1 (0.40) MAOBMAOAPOLBL3MBTL1BCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed