Fumaric Acid

Fumaric Acid

SCHEMBL8991825

Cc1sc2c(c1C(O)CN1CCC(c3noc4cc(F)ccc34)CC1)C(=O)NCCC2.O.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.45

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 7)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 13/20 0.44
DRD2 known ✓ P14416 12/20 0.44
KCNH2 known ✓ Q12809 9/20 0.44
HTR1A known ✓ P08908 2/20 0.44
SLC6A4 known ✓ P31645 1/20 0.43
HTR7 P34969 11/20 0.44
ACHE P22303 2/20 0.44

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 SCHEMBL8915770 1.00 HTR2A (0.44) HTR2ADRD2HTR7KCNH2HTR1A
SCHEMBL8916675 0.81 DRD2 (0.49) HTR2ADRD2HTR7KCNH2HTR1A
Oxalic Acid SCHEMBL8917312 0.78 DRD2 (0.53) HTR2ADRD2KCNH2HTR1AACHE
Fumaric Acid SCHEMBL8156168 0.75 DRD2 (0.60) HTR2ADRD2HTR7KCNH2ACHE
Fumaric Acid SCHEMBL8156164 0.75 DRD2 (0.60) HTR2ADRD2HTR7KCNH2ACHE
SCHEMBL8917307 0.74 DRD2 (0.58) HTR2ADRD2HTR7KCNH2ACHE
Fumaric Acid SCHEMBL1545783 0.74 HTR2A (0.60) HTR2ADRD2HTR7KCNH2HTR1A
Fumaric Acid SCHEMBL1545788 0.74 HTR2A (0.60) HTR2ADRD2HTR7KCNH2HTR1A
Fumaric Acid SCHEMBL1545786 0.74 HTR2A (0.60) HTR2ADRD2HTR7KCNH2HTR1A
Fumaric Acid SCHEMBL5992737 0.74 HTR2A (0.60) HTR2ADRD2HTR7KCNH2HTR1A

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-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed