Fumaric Acid

Fumaric Acid

SCHEMBL7488720

Cn1ncc(OCCCN2CCN(c3ncccn3)CC2)nc1=O.O=C(O)C=CC(=O)O

nearest known ligand 0.49

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 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 known ✓ Q9Y5N1 5/20 0.49
▸ DRD2 known ✓ P14416 4/20 0.47
▸ HTR1A known ✓ P08908 2/20 0.45
▸ DRD1 known ✓ P21728 1/20 0.43
▸ HTR2A known ✓ P28223 1/20 0.43
▸ MAOB P27338 4/20 0.46
▸ DRD3 P35462 2/20 0.43
▸ DRD4 P21917 3/20 0.43

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 SCHEMBL7488718 1.00 HRH3 (0.49) HRH3DRD2MAOBHTR1ADRD3
SCHEMBL7485995 0.88 HTR1A (0.54) HRH3DRD2MAOBHTR1ADRD3
SCHEMBL7488037 0.87 HTR1A (0.53) HRH3DRD2MAOBHTR1ADRD3
Fumaric Acid SCHEMBL7490162 0.87 HRH3 (0.42) HRH3DRD2MAOBHTR1ADRD3
Fumaric Acid SCHEMBL7489724 0.87 HRH3 (0.42) HRH3DRD2MAOBHTR1ADRD3
Fumaric Acid SCHEMBL7488585 0.86 HRH3 (0.41) HRH3DRD2MAOBHTR1ADRD3
Fumaric Acid SCHEMBL7488578 0.86 HRH3 (0.41) HRH3DRD2MAOBHTR1ADRD3
Fumaric Acid SCHEMBL7489484 0.86 HTR1A (0.48) HRH3DRD2MAOBHTR1ADRD3
Fumaric Acid SCHEMBL7487370 0.86 HTR1A (0.48) HRH3DRD2MAOBHTR1ADRD3
Fumaric Acid SCHEMBL7492264 0.85 HRH3 (0.38) HRH3MAOBHTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023287-B1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-12 — — EP claimed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US claimed
EP-1023287-B1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PF MEDICAMENT (FR) 2002-06-12 — — EP disclosed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US disclosed
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