Fumaric Acid

Fumaric Acid

SCHEMBL7647905

NCCN1c2ccccc2[C@@H]2CCC[C@@H]21.O=C(O)C=CC(=O)O

nearest known ligand 0.44

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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
▸ HRH1 known ✓ P35367 2/20 0.44
▸ MEN1 known ✓ O00255 1/20 0.37
▸ KMT2A known ✓ Q03164 1/20 0.37
▸ DRD2 known ✓ P14416 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HRH2 P25021 1/20 0.34

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 SCHEMBL7647902 1.00 HRH1 (0.44) HRH1HDAC6MEN1LMNAGLA
Fumaric Acid SCHEMBL5017861 1.00 HRH1 (0.44) HRH1HDAC6MEN1LMNAGLA
Fumaric Acid SCHEMBL5017856 1.00 HRH1 (0.44) HRH1HDAC6MEN1LMNAGLA
SCHEMBL4862162 0.88 HRH1 (0.49) HRH1HDAC6DRD2DRD4CREBBP
SCHEMBL4863503 0.76 HRH1 (0.49) HRH1HDAC6DRD2DRD4CREBBP
SCHEMBL14197429 0.74 HRH1 (0.52) HRH1HDAC6DRD2GAA
SCHEMBL14197457 0.70 HRH1 (0.49) HRH1HDAC6DRD2DRD4CREBBP
SCHEMBL11359103 0.68 HRH1 (0.58) HRH1HDAC6DRD2DRD4CREBBP
SCHEMBL14197432 0.67 HRH1 (0.48) HRH1HDAC6SMN1; SMN2DRD2DRD4
SCHEMBL4872282 0.67 HRH1 (0.48) HRH1HDAC6SMN1; SMN2DRD2DRD4

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-6479534-B1 Indoline derivatives and method of treating obesity VERNALIS RESEARCH LIMITED (GB) 2002-11-12 — — US disclosed
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