Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 18/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 13/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056064 | 0.85 | HCRTR1 (0.62) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL1822220 | 0.82 | HCRTR2 (0.57) | HCRTR2HCRTR1 | |
| SCHEMBL2906417 | 0.82 | HCRTR2 (0.57) | HCRTR2HCRTR1 | |
| SCHEMBL2906415 | 0.82 | HCRTR2 (0.57) | HCRTR2HCRTR1 | |
| Hydrochloric Acid SCHEMBL19468955 | 0.81 | HCRTR2 (0.56) | HCRTR2HCRTR1 | |
| Hydrochloric Acid SCHEMBL19468953 | 0.81 | HCRTR2 (0.56) | HCRTR2HCRTR1 | |
| Bromide SCHEMBL19894041 | 0.75 | HCRTR2 (0.49) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL17876882 | 0.73 | HCRTR2 (0.60) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL30670471 | 0.72 | HCRTR2 (0.54) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL29931029 | 0.71 | HCRTR2 (0.59) | HCRTR2HCRTR1 |
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 |