Fumaric Acid

Fumaric Acid

SCHEMBL9635803

CN1CCN(Cc2nc3cccnc3n2Cc2ccco2)CC1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.39
KMT2A known ✓ Q03164 1/20 0.39
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
LMNA P02545 5/20 0.45
TSHR P16473 4/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SLC6A9 P48067 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL9687078 0.91 CHRM5 (0.50) CHRM5CHRM1LMNATSHRUSP2
Fumaric Acid SCHEMBL9634964 0.86 CHRM5 (0.52) CHRM5CHRM1LMNAUSP2ALDH1A1
Fumaric Acid SCHEMBL9636448 0.86 CHRM5 (0.52) CHRM5CHRM1LMNAUSP2ALDH1A1
Fumaric Acid SCHEMBL9634523 0.81 CHRM5 (0.52) CHRM5CHRM1LMNAUSP2ALDH1A1
Fumaric Acid SCHEMBL9635958 0.80 SLC6A9 (0.62) CHRM5CHRM1LMNATSHRUSP2
Fumaric Acid SCHEMBL9634772 0.78 CHRM5 (0.51) CHRM5CHRM1LMNAUSP2ALDH1A1
Fumaric Acid SCHEMBL9635941 0.78 CHRM5 (0.53) CHRM5CHRM1LMNAUSP2ALDH1A1
Fumaric Acid SCHEMBL9634773 0.78 SLC6A9 (0.58) CHRM5CHRM1USP2ALDH1A1SLC6A9
Fumaric Acid SCHEMBL9636371 0.76 CHRM5 (0.41) CHRM5CHRM1LMNAALDH1A1HSD17B10
Fumaric Acid SCHEMBL9634992 0.76 CHRM5 (0.41) CHRM5CHRM1LMNAALDH1A1HSD17B10

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