Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | PRKCA | P17252 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7493544 | 0.70 | — | — | |
| SCHEMBL4392084 | 0.69 | — | — | |
| SCHEMBL15116733 | 0.68 | — | — | |
| SCHEMBL12956481 | 0.68 | — | — | |
| Acetone SCHEMBL11331764 | 0.68 | CA1 (0.82) | CA1CA9CYP1A2PRKCA | |
| SCHEMBL274337 | 0.68 | — | — | |
| SCHEMBL13837150 | 0.65 | CA1 (0.45) | CA1CA9CYP1A2PRKCA | |
| SCHEMBL4390485 | 0.64 | CYP1A2 (0.49) | CA1CA9CYP1A2PRKCA | |
| SCHEMBL5304809 | 0.64 | CA1 (0.43) | CA1CA9CYP1A2PRKCA | |
| SCHEMBL3629961 | 0.64 | CYP1A2 (0.49) | CA1CA9CYP1A2PRKCA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173430-A1 | ENANTIOMERS OF MERCAPTO LACTONES AND PROCESSES FOR THEIR SYNTHESIS | GLAXO GROUP LIMITED (GB) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000064882-A2 | ENANTIOMERS OF MERCAPTO LACTONES AND PROCESSES FOR THEIR SYNTHESIS | GLAXO GROUP LIMITED (GB) | 2000-11-02 | — | — | WO | disclosed |