Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 19/20 | 0.62 |
| ▸ | HCRTR2 | O43614 | 19/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL8060463 | 0.85 | HCRTR2 (0.53) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17830177 | 0.83 | HCRTR2 (0.58) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL8217802 | 0.83 | HCRTR2 (0.58) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL903254 | 0.83 | HCRTR2 (0.58) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL2904344 | 0.83 | HCRTR2 (0.58) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL12024777 | 0.80 | HCRTR1 (0.57) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL19196848 | 0.79 | HCRTR2 (0.53) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17539231 | 0.79 | HCRTR2 (0.53) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17495615 | 0.79 | HCRTR2 (0.53) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17495614 | 0.79 | HCRTR2 (0.53) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2214676-B1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2009058238-A1 | SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-05-07 | — | — | WO | disclosed |