Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 16/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 15/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3821297 | 0.91 | HCRTR1 (0.37) | HRH3HCRTR1HCRTR2CYP3A4BRAF | |
| SCHEMBL3248846 | 0.87 | HCRTR1 (0.47) | HCRTR1HCRTR2 | |
| SCHEMBL3252466 | 0.87 | HCRTR1 (0.45) | HCRTR1HCRTR2 | |
| SCHEMBL3247800 | 0.84 | HCRTR1 (0.42) | HCRTR1HCRTR2 | |
| SCHEMBL3245432 | 0.83 | HCRTR1 (0.42) | HCRTR1HCRTR2 | |
| SCHEMBL3255444 | 0.82 | HCRTR1 (0.42) | HCRTR1HCRTR2 | |
| SCHEMBL3248862 | 0.82 | HCRTR1 (0.45) | HCRTR1HCRTR2 | |
| SCHEMBL3254040 | 0.81 | HCRTR1 (0.44) | HCRTR1HCRTR2 | |
| SCHEMBL3252612 | 0.80 | HCRTR1 (0.35) | HCRTR1HCRTR2 | |
| SCHEMBL3835207 | 0.79 | HCRTR1 (0.45) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2183246-A2 | 2-AZA-BICYCLO-[3.3.0]-OCTANE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-12 | — | — | EP | claimed |
| WO-2009016564-A2 | 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-05 | — | — | WO | claimed |
| EP-2183246-A2 | 2-AZA-BICYCLO-[3.3.0]-OCTANE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009016564-A2 | 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-05 | — | — | WO | disclosed |