Fumaric Acid

Fumaric Acid

SCHEMBL7492260

Cc1cc(C)nc(N2CCN(CCCCOc3cnn(C)c(=O)n3)CC2)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HTR1A P08908 5/20 0.38
▸ MAOB P27338 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACHE P22303 1/20 0.36

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 SCHEMBL7492264 1.00 HRH3 (0.38) HRH3HTR1AMAOBKDM4EUSP2
Fumaric Acid SCHEMBL7490162 0.90 HRH3 (0.42) HRH3HTR1AMAOBKDM4E
Fumaric Acid SCHEMBL7489724 0.90 HRH3 (0.42) HRH3HTR1AMAOBKDM4E
Fumaric Acid SCHEMBL7488718 0.85 HRH3 (0.49) HRH3HTR1AMAOB
Fumaric Acid SCHEMBL7488720 0.85 HRH3 (0.49) HRH3HTR1AMAOB
Fumaric Acid SCHEMBL7488585 0.84 HRH3 (0.41) HRH3HTR1AMAOBKDM4EACHE
Fumaric Acid SCHEMBL7488578 0.84 HRH3 (0.41) HRH3HTR1AMAOBKDM4EACHE
Fumaric Acid SCHEMBL7493172 0.82 HTR1A (0.53) HTR1A
Fumaric Acid SCHEMBL7488619 0.82 HTR1A (0.53) HTR1A
SCHEMBL7485995 0.80 HTR1A (0.54) HRH3HTR1AMAOBKDM4E

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
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
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 — — US disclosed
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