Fumaric Acid

Fumaric Acid

SCHEMBL9636082

CCOCCn1c(CCCN2CCNCC2)nc2cccnc21.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 9)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.39
KMT2A known ✓ Q03164 2/20 0.39
HRH1 known ✓ P35367 1/20 0.37
SLC6A9 P48067 1/20 0.52
ALDH1A1 P00352 1/20 0.43
TP53 P04637 5/20 0.42
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
ENPP2 Q13822 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 SCHEMBL9634756 0.97 SLC6A9 (0.51) SLC6A9ALDH1A1TP53GAALMNA
SCHEMBL9687058 0.92 SLC6A9 (0.57) SLC6A9ALDH1A1TP53MEN1KMT2A
Fumaric Acid SCHEMBL9634770 0.91 SLC6A9 (0.58) SLC6A9TP53LMNAMEN1KMT2A
Fumaric Acid SCHEMBL9634676 0.91 SLC6A9 (0.56) SLC6A9ALDH1A1TP53GAALMNA
SCHEMBL9634663 0.89 SLC6A9 (0.56) SLC6A9ALDH1A1TP53MEN1KMT2A
Fumaric Acid SCHEMBL9634790 0.89 SLC6A9 (0.55) SLC6A9ALDH1A1TP53GAALMNA
SCHEMBL9635008 0.87 SLC6A9 (0.55) SLC6A9ALDH1A1TP53LMNAMEN1
Fumaric Acid SCHEMBL10383261 0.83 SLC6A9 (0.45) SLC6A9TP53GAALMNAMEN1
Fumaric Acid SCHEMBL9634753 0.82 SLC6A9 (0.54) SLC6A9TP53LMNAMEN1KMT2A
SCHEMBL9685805 0.82 SLC6A9 (0.61) SLC6A9ALDH1A1TP53MEN1KMT2A

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