Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 14/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 16/20 | 0.36 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2932494 | 0.90 | HCRTR2 (0.38) | HCRTR2HCRTR1CYP46A1 | |
| SCHEMBL2924244 | 0.87 | CYP46A1 (0.39) | HCRTR2HCRTR1CYP46A1PIK3CDPRCP | |
| SCHEMBL2930955 | 0.86 | HCRTR2 (0.38) | HCRTR2HCRTR1CYP46A1PIK3CDPRCP | |
| SCHEMBL2930742 | 0.85 | PIK3CA (0.35) | HCRTR2HCRTR1CYP46A1PIK3CDPRCP | |
| SCHEMBL2931914 | 0.85 | HCRTR2 (0.39) | HCRTR2HCRTR1CYP46A1PIK3CD | |
| SCHEMBL2931040 | 0.82 | HCRTR2 (0.40) | HCRTR2HCRTR1PIK3CD | |
| SCHEMBL2930074 | 0.82 | SLC6A7 (0.35) | HCRTR2HCRTR1 | |
| SCHEMBL2928151 | 0.82 | HCRTR2 (0.35) | HCRTR2HCRTR1 | |
| SCHEMBL2933639 | 0.81 | PAX8 (0.39) | PRCP | |
| SCHEMBL2926435 | 0.80 | MGLL (0.37) | HCRTR2HCRTR1PIK3CDPRCP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2079690-B1 | 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-09-15 | — | — | EP | disclosed |