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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 20/20 | 0.75 |
| ▸ | PDE6C | P51160 | 2/20 | 0.54 |
| ▸ | PDE11A | Q9HCR9 | 2/20 | 0.54 |
| ▸ | PDE1A | P54750 | 1/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16199270 | 0.94 | PDE5A (0.76) | PDE5APDE6CPDE11A | |
| SCHEMBL2579639 | 0.84 | PDE5A (0.84) | PDE5APDE6CPDE11APDE1APDE1B | |
| Fumaric Acid SCHEMBL2565615 | 0.83 | PDE5A (0.65) | PDE5APDE6CPDE11APDE1APDE1B | |
| Maleic Acid SCHEMBL2567443 | 0.83 | PDE5A (0.65) | PDE5APDE6CPDE11APDE1APDE1B | |
| SCHEMBL2568287 | 0.83 | PDE5A (0.80) | PDE5APDE6CPDE11APDE1APDE1B | |
| SCHEMBL2569811 | 0.83 | PDE5A (0.80) | PDE5APDE6CPDE11APDE1A | |
| SCHEMBL17888956 | 0.82 | PDE5A (0.78) | PDE5APDE6CPDE11A | |
| SCHEMBL2567295 | 0.82 | PDE5A (0.77) | PDE5APDE6CPDE11APDE1A | |
| SCHEMBL2563968 | 0.79 | PDE5A (0.60) | PDE5APDE6CPDE11APDE1APDE1B | |
| SCHEMBL2565444 | 0.79 | PDE5A (0.73) | PDE5APDE6CPDE11APDE1APDE1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2383262-B1 | PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF | TOPHARMAN SHANGHAI CO LTD (CN) | 2016-07-06 | — | — | EP | disclosed |
| US-8871777-B2 | Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof | TOPHARMAN SHANGHAI CO., LTD. (CN) | 2014-10-28 | — | — | US | disclosed |
| EP-2383262-A1 | PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF | Topharman Shanghai Co., Ltd. (CN) | 2011-11-02 | — | — | EP | disclosed |