Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 20/20 | 0.56 |
| ▸ | HCRTR1 | O43613 | 19/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL9954737 | 0.84 | HCRTR1 (0.69) | HCRTR2HCRTR1 | |
| SCHEMBL9956544 | 0.84 | HCRTR1 (0.57) | HCRTR2HCRTR1 | |
| SCHEMBL9957554 | 0.84 | HCRTR1 (0.57) | HCRTR2HCRTR1 | |
| SCHEMBL9957552 | 0.84 | HCRTR1 (0.57) | HCRTR2HCRTR1 | |
| SCHEMBL9957079 | 0.84 | HCRTR1 (0.57) | HCRTR2HCRTR1 | |
| SCHEMBL9957650 | 0.81 | HCRTR1 (0.56) | HCRTR2HCRTR1 | |
| SCHEMBL9957647 | 0.81 | HCRTR1 (0.56) | HCRTR2HCRTR1 | |
| SCHEMBL9957712 | 0.76 | HCRTR1 (0.49) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL9957873 | 0.75 | HCRTR1 (0.51) | HCRTR2HCRTR1 | |
| SCHEMBL9956269 | 0.74 | HCRTR1 (0.66) | 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 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 |