Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2440747 | 0.80 | HCRTR1 (0.43) | MAPK1HCRTR1HCRTR2 | |
| SCHEMBL496356 | 0.80 | HCRTR1 (0.43) | MAPK1HCRTR1HCRTR2 | |
| SCHEMBL1338047 | 0.70 | HCRTR1 (0.47) | MAPK1HCRTR1HCRTR2 | |
| SCHEMBL13538936 | 0.70 | HCRTR1 (0.47) | MAPK1HCRTR1HCRTR2 | |
| SCHEMBL269594 | 0.68 | GUCY1B2 (0.52) | MAPK1HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL923501 | 0.68 | HCRTR1 (0.45) | MAPK1HCRTR1HCRTR2 | |
| SCHEMBL2450556 | 0.67 | HCRTR1 (0.45) | MAPK1HCRTR1HCRTR2 | |
| SCHEMBL496272 | 0.67 | HCRTR1 (0.45) | MAPK1HCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL1398882 | 0.67 | MAPK1 (0.48) | MAPK1HCRTR1HCRTR2 | |
| SCHEMBL269595 | 0.65 | MAPK1 (0.51) | MAPK1HCRTR1HCRTR2 |
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 |