Fumaric Acid

Fumaric Acid

SCHEMBL7979548

CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.88

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 4)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 2/20 0.88
ADRA1A known ✓ P35348 1/20 0.46
DRD4 P21917 2/20 0.88
MAPT P10636 1/20 0.38

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 SCHEMBL7979544 1.00 DRD4 (0.88) DRD4HTR2AADRA1AMAPT
Fumaric Acid SCHEMBL9667386 0.86 HTR2A (0.65) DRD4HTR2AADRA1AMAPT
Maleic Acid SCHEMBL9667377 0.86 HTR2A (0.65) DRD4HTR2AADRA1AMAPT
SCHEMBL9298366 0.84 HTR2A (0.81) DRD4HTR2AADRA1AMAPT
Maleic Acid SCHEMBL7993854 0.83 HTR2A (0.66) DRD4HTR2AADRA1AMAPT
Fumaric Acid SCHEMBL7993860 0.83 HTR2A (0.66) DRD4HTR2AADRA1AMAPT
Hydrochloric Acid SCHEMBL7990183 0.83 HTR2A (0.80) DRD4HTR2AADRA1AMAPT
SCHEMBL7679404 0.83 DRD4 (1.00) DRD4HTR2AADRA1AMAPT
SCHEMBL7996802 0.79 HTR2A (0.73) DRD4HTR2AADRA1AMAPT
Fumaric Acid SCHEMBL7835323 0.77 ADRA1A (0.54) DRD4HTR2AADRA1AMAPT

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-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed