Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 20/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 19/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30644096 | 0.94 | HCRTR2 (0.50) | HCRTR2HCRTR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL26643055 | 0.94 | HCRTR2 (0.50) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL17539262 | 0.82 | HCRTR2 (0.64) | HCRTR2HCRTR1 | |
| SCHEMBL2358754 | 0.82 | HCRTR2 (0.64) | HCRTR2HCRTR1 | |
| SCHEMBL30644100 | 0.81 | HCRTR1 (0.43) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL17501812 | 0.81 | HCRTR2 (0.65) | HCRTR2HCRTR1 | |
| Hydrochloric Acid SCHEMBL26643081 | 0.80 | HCRTR1 (0.48) | HCRTR2HCRTR1 | |
| SCHEMBL23018148 | 0.79 | HCRTR2 (0.58) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL8217802 | 0.74 | HCRTR2 (0.58) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL2904344 | 0.74 | HCRTR2 (0.58) | HCRTR2HCRTR1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3177616-A1 | NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT | Sandoz AG (CH) | 2017-06-14 | — | — | EP | disclosed |
| WO-2016020405-A1 | NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT | SANDOZ AG (CH) | 2016-02-11 | — | — | WO | disclosed |
| EP-2680697-A1 | PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST | Merck Sharp & Dohme Corp. (US) | 2014-01-08 | — | — | EP | disclosed |
| WO-2012148553-A1 | PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST | MERCK SHARP & DOHME CORP. (US) | 2012-11-01 | — | — | WO | disclosed |