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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9397255 | 1.00 | ACHE (0.48) | ACHEGRIN1GRIN2AGRIN2BALDH1A1 | |
| SCHEMBL9253608 | 0.94 | GRIN1 (0.52) | ACHEGRIN1GRIN2AGRIN2BALDH1A1 | |
| Fumaric Acid SCHEMBL9247462 | 0.85 | ALDH1A1 (0.54) | ALDH1A1GAAKDM4E | |
| Fumaric Acid SCHEMBL9247466 | 0.85 | ALDH1A1 (0.54) | ALDH1A1GAAKDM4E | |
| Fumaric Acid SCHEMBL9397143 | 0.84 | ACHE (0.72) | ACHEGRIN1GRIN2BCCR3 | |
| Fumaric Acid SCHEMBL9250365 | 0.81 | CCR3 (0.50) | ALDH1A1CCR3KDM4E | |
| Fumaric Acid SCHEMBL9250376 | 0.81 | CCR3 (0.50) | ALDH1A1CCR3KDM4E | |
| SCHEMBL10730073 | 0.81 | ACHE (0.70) | ACHEALDH1A1DRD4CCR3GAA | |
| Fumaric Acid SCHEMBL9253101 | 0.81 | CCR3 (0.60) | ALDH1A1CCR3GAAKDM4E | |
| Fumaric Acid SCHEMBL9253095 | 0.81 | CCR3 (0.60) | ALDH1A1CCR3GAAKDM4E |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5294625-A | 1-benzyl,4-((4-dialkylaminophenyl)carbonyl)piperidines | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-15 | — | — | US | disclosed |
| EP-0378207-B1 | CYCLIC AMINE COMPOUNDS AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1993-09-22 | — | — | EP | disclosed |
| US-5177087-A | Cerebral edema, cholinesterase inhibitor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-05 | — | — | US | disclosed |