Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 20/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4548330 | 0.74 | HCAR2 (0.69) | HCAR2CYP2C9CYP2C8 | |
| SCHEMBL4548326 | 0.73 | HCAR2 (1.00) | HCAR2CYP2C9 | |
| SCHEMBL14622029 | 0.70 | HCAR2 (0.62) | HCAR2CYP2C9CYP2C8 | |
| SCHEMBL4548329 | 0.70 | HCAR2 (1.00) | HCAR2CYP2C9 | |
| SCHEMBL4548311 | 0.67 | HCAR2 (1.00) | HCAR2CYP2C9 | |
| SCHEMBL10312568 | 0.66 | HCAR2 (0.77) | HCAR2CYP2C9 | |
| SCHEMBL4548337 | 0.66 | HCAR2 (0.59) | HCAR2CYP2C9CYP2C8 | |
| SCHEMBL4548336 | 0.65 | HCAR2 (0.65) | HCAR2CYP2C9CYP2C8 | |
| SCHEMBL4548344 | 0.64 | HCAR2 (0.82) | HCAR2CYP2C9 | |
| SCHEMBL4548313 | 0.64 | HCAR2 (0.82) | HCAR2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007002557-A1 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |