Fumaric Acid

Fumaric Acid

SCHEMBL9634773

CCOCCn1c(CN2CCCN(C)CC2)nc2cccnc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 15)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 3/20 0.40
MEN1 known ✓ O00255 2/20 0.40
SLC6A9 P48067 1/20 0.58
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHKA P35790 1/20 0.41
PKM P14618 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 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 SCHEMBL9635958 0.96 SLC6A9 (0.62) SLC6A9CHRM5CHRM1KMT2AMEN1
SCHEMBL9685783 0.92 SLC6A9 (0.64) SLC6A9CHRM5CHRM1CHKAPKM
Fumaric Acid SCHEMBL9634661 0.91 SLC6A9 (0.62) SLC6A9CHRM5CHRM1KMT2AMEN1
SCHEMBL9686512 0.88 SLC6A9 (0.68) SLC6A9CHRM5CHRM1PKMKMT2A
Fumaric Acid SCHEMBL9878012 0.88 SLC6A9 (0.61) SLC6A9CHRM5CHRM1KMT2AMEN1
Fumaric Acid SCHEMBL9635828 0.88 SLC6A9 (0.58) SLC6A9CHRM5CHRM1KMT2AMEN1
Fumaric Acid SCHEMBL9634770 0.88 SLC6A9 (0.58) SLC6A9CHRM5CHRM1KMT2AMEN1
Fumaric Acid SCHEMBL9634676 0.88 SLC6A9 (0.56) SLC6A9CHRM5CHRM1KMT2AMEN1
Fumaric Acid SCHEMBL9634735 0.87 SLC6A9 (0.58) SLC6A9CHRM5CHRM1PKMKMT2A
Fumaric Acid SCHEMBL9634772 0.87 CHRM5 (0.51) SLC6A9CHRM5CHRM1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed