Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 20/20 | 0.56 |
| ▸ | HCRTR2 | O43614 | 19/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL744926 | 0.85 | HCRTR1 (0.47) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL1278830 | 0.78 | HCRTR1 (0.62) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL744295 | 0.77 | HCRTR1 (0.81) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL4536222 | 0.71 | HCRTR2 (1.00) | HCRTR1HCRTR2 | |
| SCHEMBL744088 | 0.71 | HCRTR1 (0.64) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL743617 | 0.70 | HCRTR1 (0.62) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL743884 | 0.69 | HCRTR1 (0.82) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL746880 | 0.69 | HCRTR1 (0.81) | HCRTR1HCRTR2 | |
| SCHEMBL12413546 | 0.68 | HCRTR1 (0.52) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL743605 | 0.67 | HCRTR1 (0.69) | HCRTR1HCRTR2CYP3A4 |
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-2429523-A1 | THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2012-03-21 | — | — | EP | claimed |
| WO-2010131191-A1 | THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-11-18 | — | — | WO | claimed |
| EP-2429523-A1 | THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2012-03-21 | — | — | EP | disclosed |