Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 20/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 20/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9955951 | 0.92 | HCRTR1 (0.54) | HCRTR1HCRTR2 | |
| SCHEMBL14973561 | 0.84 | HCRTR1 (0.63) | HCRTR1HCRTR2 | |
| SCHEMBL9960725 | 0.83 | HCRTR1 (0.49) | HCRTR1HCRTR2 | |
| SCHEMBL9956100 | 0.83 | HCRTR1 (0.49) | HCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL9957524 | 0.82 | HCRTR1 (0.47) | HCRTR1HCRTR2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9957521 | 0.82 | HCRTR1 (0.47) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL9957016 | 0.80 | HCRTR2 (0.65) | HCRTR1HCRTR2 | |
| SCHEMBL9955630 | 0.79 | HCRTR1 (0.47) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL9957554 | 0.77 | HCRTR1 (0.57) | HCRTR1HCRTR2 | |
| SCHEMBL9957079 | 0.77 | HCRTR1 (0.57) | HCRTR1HCRTR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |