Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL496234 | 1.00 | HCRTR1 (0.45) | HCRTR1HCRTR2MAPK1 | |
| SCHEMBL2930755 | 0.91 | HCRTR1 (0.54) | HCRTR1HCRTR2MAPK1 | |
| SCHEMBL3415424 | 0.91 | HCRTR1 (0.54) | HCRTR1HCRTR2MAPK1 | |
| SCHEMBL2930753 | 0.91 | HCRTR1 (0.54) | HCRTR1HCRTR2MAPK1 | |
| SCHEMBL1340238 | 0.91 | HCRTR1 (0.54) | HCRTR1HCRTR2MAPK1 | |
| SCHEMBL2450569 | 0.87 | HCRTR1 (0.49) | HCRTR1HCRTR2MAPK1 | |
| SCHEMBL496259 | 0.87 | HCRTR1 (0.49) | HCRTR1HCRTR2MAPK1 | |
| SCHEMBL2445978 | 0.84 | ACKR3 (0.35) | HCRTR1HCRTR2 | |
| SCHEMBL497312 | 0.84 | ACKR3 (0.35) | HCRTR1HCRTR2 | |
| SCHEMBL4739213 | 0.81 | MAPK1 (0.43) | HCRTR1HCRTR2MAPK1 |
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-2164847-B1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-09-14 | — | — | EP | disclosed |