Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 18/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 17/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3412047 | 1.00 | HCRTR1 (0.42) | HCRTR1HCRTR2CYP1A2CYP3A4THPO | |
| SCHEMBL1339324 | 1.00 | HCRTR1 (0.42) | HCRTR1HCRTR2CYP1A2CYP3A4THPO | |
| SCHEMBL2931855 | 1.00 | HCRTR1 (0.42) | HCRTR1HCRTR2CYP1A2CYP3A4THPO | |
| SCHEMBL3415404 | 1.00 | HCRTR1 (0.42) | HCRTR1HCRTR2CYP1A2CYP3A4THPO | |
| SCHEMBL2445609 | 0.94 | HCRTR1 (0.41) | HCRTR1HCRTR2 | |
| SCHEMBL3411924 | 0.90 | HCRTR1 (0.51) | HCRTR1HCRTR2 | |
| SCHEMBL3409384 | 0.90 | HCRTR1 (0.51) | HCRTR1HCRTR2 | |
| SCHEMBL2926677 | 0.90 | HCRTR1 (0.51) | HCRTR1HCRTR2 | |
| SCHEMBL2931302 | 0.90 | HCRTR1 (0.51) | HCRTR1HCRTR2 | |
| SCHEMBL2926988 | 0.89 | HCRTR1 (0.42) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |