Fumaric Acid

Fumaric Acid

SCHEMBL9762718

CCOCCn1c([C@H]2CCCN(C)C2)nc2cccnc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.62

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 7)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 8/20 0.62
HRH1 known ✓ P35367 12/20 0.52
CHRM1 P11229 3/20 0.52
CYP2D6 P10635 3/20 0.46
SLC6A9 P48067 1/20 0.42
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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 SCHEMBL9762713 1.00 KCNH2 (0.62) KCNH2HRH1CHRM1CYP2D6SLC6A9
Fumaric Acid SCHEMBL9634650 0.78 SLC6A9 (0.51) KCNH2CHRM1SLC6A9MAPTNPSR1
Fumaric Acid SCHEMBL9634773 0.77 SLC6A9 (0.58) CHRM1SLC6A9NPSR1
Fumaric Acid SCHEMBL9635958 0.76 SLC6A9 (0.62) CHRM1SLC6A9MAPTNPSR1
Fumaric Acid SCHEMBL10383261 0.76 SLC6A9 (0.45) SLC6A9MAPT
Fumaric Acid SCHEMBL9634684 0.76 SLC6A9 (0.57) HRH1CHRM1SLC6A9MAPTNPSR1
Fumaric Acid SCHEMBL10382780 0.76 SLC6A9 (0.49) HRH1SLC6A9MAPT
Fumaric Acid SCHEMBL9634735 0.75 SLC6A9 (0.58) KCNH2CHRM1SLC6A9MAPTNPSR1
Fumaric Acid SCHEMBL9634676 0.75 SLC6A9 (0.56) CHRM1SLC6A9
Fumaric Acid SCHEMBL10382810 0.75 MAPT (0.41) HRH1SLC6A9MAPTNPSR1

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-5071855-A Antihistamines, antiallergens DOMPE FARMACEUTICI SPA (IT) 1991-12-10 US disclosed