Fumaric Acid

Fumaric Acid

SCHEMBL7958210

COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC.O=C(O)C=CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 2)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 20/20 1.00
TACR1 P25103 1/20 0.84

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
Maleic Acid SCHEMBL8308074 1.00 HRH1 (1.00) HRH1TACR1
SCHEMBL1387270 0.97 HRH1 (1.00) HRH1TACR1
Maleic Acid SCHEMBL8307058 0.95 HRH1 (0.93) HRH1TACR1
Fumaric Acid SCHEMBL7961011 0.95 HRH1 (0.93) HRH1TACR1
Fumaric Acid SCHEMBL7961480 0.94 HRH1 (1.00) HRH1TACR1
Maleic Acid SCHEMBL8308562 0.94 HRH1 (1.00) HRH1TACR1
SCHEMBL7946761 0.93 HRH1 (0.92) HRH1TACR1
SCHEMBL1388889 0.92 HRH1 (1.00) HRH1TACR1
SCHEMBL1387224 0.91 HRH1 (1.00) HRH1TACR1
SCHEMBL7954695 0.91 HRH1 (0.88) HRH1TACR1

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-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed