Fumaric Acid

Fumaric Acid

SCHEMBL9634772

C=CCOCCn1c(CN2CCN(C)CC2)nc2cccnc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.51

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 16)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 3/20 0.38
MEN1 known ✓ O00255 2/20 0.38
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A9 P48067 1/20 0.51
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 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
SCHEMBL9685827 0.93 SLC6A9 (0.54) CHRM5CHRM1SLC6A9TP53KMT2A
Fumaric Acid SCHEMBL9635958 0.90 SLC6A9 (0.62) CHRM5CHRM1SLC6A9TP53KMT2A
Fumaric Acid SCHEMBL9635941 0.88 CHRM5 (0.53) CHRM5CHRM1SLC6A9TP53KMT2A
Fumaric Acid SCHEMBL9634773 0.87 SLC6A9 (0.58) CHRM5CHRM1SLC6A9KMT2AMEN1
Fumaric Acid SCHEMBL9635828 0.87 SLC6A9 (0.58) CHRM5CHRM1SLC6A9TP53KMT2A
Fumaric Acid SCHEMBL9634661 0.84 SLC6A9 (0.62) CHRM5CHRM1SLC6A9TP53KMT2A
Fumaric Acid SCHEMBL9878012 0.81 SLC6A9 (0.61) CHRM5CHRM1SLC6A9TP53KMT2A
Fumaric Acid SCHEMBL9634676 0.81 SLC6A9 (0.56) CHRM5CHRM1SLC6A9TP53KMT2A
Fumaric Acid SCHEMBL9634770 0.81 SLC6A9 (0.58) CHRM5CHRM1SLC6A9TP53KMT2A
SCHEMBL9686512 0.81 SLC6A9 (0.68) CHRM5CHRM1SLC6A9KMT2AMEN1

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