Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9114880 | 0.89 | SLC6A2 (0.34) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL8108166 | 0.72 | SIGMAR1 (0.41) | — | |
| SCHEMBL8119633 | 0.67 | CYP2D6 (0.35) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL29024014 | 0.65 | KDM4E (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL5330905 | 0.65 | SLC6A2 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL9443686 | 0.65 | KDM4E (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 | |
| SCHEMBL12740946 | 0.65 | ROCK2 (0.42) | ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL1448748 | 0.64 | ROCK2 (0.42) | ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL1448751 | 0.64 | ROCK2 (0.42) | ROCK2ROCK1 | |
| SCHEMBL7543302 | 0.63 | KDM4E (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3ROCK2 |
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-0610140-A1 | 2- 4-(4-Azolylbutyl)-1-piperazinyl -5-hydroxypyrimidin derivatives, their preparation and their use als medicines | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1994-08-10 | — | — | EP | claimed |