Fumaric Acid

Fumaric Acid

SCHEMBL7957738

O=C(O)/C=C/C(=O)O.O=S(=O)(CCCCCCN1CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1)NC1CC1

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 known ✓ P14416 11/20 0.49
▸ HRH1 known ✓ P35367 2/20 0.42
▸ SLC6A2 known ✓ P23975 1/20 0.42
▸ HTR2A known ✓ P28223 1/20 0.42
▸ SLC6A4 known ✓ P31645 1/20 0.42
▸ HTR2B known ✓ P41595 1/20 0.42
▸ KCNH2 known ✓ Q12809 1/20 0.42
▸ DRD3 P35462 12/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CACNA2D1 P54289 4/20 0.47
▸ CACNA1B Q00975 4/20 0.47
▸ CACNB1 Q02641 4/20 0.47
▸ CACNA1C Q13936 3/20 0.47
▸ CACNA1G O43497 1/20 0.46
▸ HRH2 P25021 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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 SCHEMBL7957768 1.00 DRD3 (0.49) DRD3DRD2KDM4EALDH1A1MAPT
Oxalic Acid SCHEMBL7097823 0.94 DRD3 (0.51) DRD3DRD2ALDH1A1CACNA2D1CACNA1B
SCHEMBL7098300 0.94 DRD2 (0.49) DRD3DRD2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL7098258 0.93 DRD2 (0.49) DRD3DRD2ALDH1A1MAPTHTT
Bromide SCHEMBL7100449 0.93 DRD2 (0.49) DRD3DRD2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL7101513 0.93 DRD2 (0.49) DRD3DRD2ALDH1A1MAPTHTT
SCHEMBL7098340 0.91 DRD2 (0.45) DRD3DRD2CACNA2D1CACNA1BCACNB1
SCHEMBL7097625 0.86 DRD3 (0.57) DRD3DRD2HRH1SLC6A2HRH2
SCHEMBL7099285 0.86 DRD3 (0.57) DRD3DRD2HRH1SLC6A2HRH2
SCHEMBL7103672 0.86 DRD3 (0.57) DRD3DRD2HRH1SLC6A2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 — — US disclosed
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