Fumaric Acid

Fumaric Acid

SCHEMBL7491977

COc1cccnc1N1CCN(CCCCOc2cnn(C)c(=O)n2)CC1.O=C(O)C=CC(=O)O

nearest known ligand 0.51

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 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 known ✓ P14416 7/20 0.45
▸ MEN1 known ✓ O00255 1/20 0.43
▸ KMT2A known ✓ Q03164 1/20 0.43
▸ HTR2A known ✓ P28223 2/20 0.41
▸ HTR1A known ✓ P08908 1/20 0.41
▸ ADRA1D known ✓ P25100 1/20 0.41
▸ ADRA1A known ✓ P35348 1/20 0.41
▸ ADRA1B known ✓ P35368 1/20 0.41
▸ DRD1 known ✓ P21728 1/20 0.40
▸ DRD3 P35462 5/20 0.45
▸ DRD4 P21917 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTR7 P34969 1/20 0.41
▸ ACHE P22303 1/20 0.40

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 SCHEMBL7491971 1.00 DRD2 (0.45) DRD2DRD3DRD4KDM4EALDH1A1
Fumaric Acid SCHEMBL7488718 0.83 HRH3 (0.49) DRD2DRD3DRD4HTR2AHTR1A
Fumaric Acid SCHEMBL7488720 0.83 HRH3 (0.49) DRD2DRD3DRD4HTR2AHTR1A
Fumaric Acid SCHEMBL7488578 0.83 HRH3 (0.41) DRD2DRD3DRD4KDM4EALDH1A1
Fumaric Acid SCHEMBL7488585 0.83 HRH3 (0.41) DRD2DRD3DRD4KDM4EALDH1A1
Fumaric Acid SCHEMBL7491120 0.82 ADRA1D (0.49) DRD2DRD3KDM4EALDH1A1TDP1
Fumaric Acid SCHEMBL7491974 0.82 ADRA1D (0.49) DRD2DRD3KDM4EALDH1A1TDP1
Fumaric Acid SCHEMBL7489724 0.80 HRH3 (0.42) DRD2DRD3DRD4KDM4EHTR1A
Fumaric Acid SCHEMBL7490162 0.80 HRH3 (0.42) DRD2DRD3DRD4KDM4EHTR1A
SCHEMBL14761486 0.80 DRD2 (0.60) DRD2DRD3DRD4KDM4EALDH1A1

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 6 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-A1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 2000-08-02 — — EP claimed
WO-1999020622-A1 3-OXO-2(H)-1,2,4-TRIAZINE DERIVATIVES AS LIGANDS OF 5HT1A RECEPTORS PIERRE FABRE MEDICAMENT (FR) 1999-04-29 — — WO 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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