Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKACA | P17612 | 2/20 | 0.47 |
| ▸ | GSK3A | P49840 | 2/20 | 0.47 |
| ▸ | PRKX | P51817 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PRKCG | P05129 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | AKT2 | P31751 | 1/20 | 0.45 |
| ▸ | FLT4 | P35916 | 1/20 | 0.45 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5501698 | 1.00 | PRKACA (0.47) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL430689 | 0.83 | MAPKAPK2 (0.54) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL27783713 | 0.83 | MAPKAPK2 (0.54) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL20095129 | 0.83 | MAPKAPK2 (0.54) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL11203104 | 0.80 | HRH1 (0.54) | RPS6KB1AURKBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17864360 | 0.79 | PRKACA (0.49) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL11765847 | 0.78 | CYP3A4 (0.50) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24134195 | 0.78 | PRKACA (0.44) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL8722488 | 0.78 | ALDH1A1 (0.51) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL6825365 | 0.78 | ALDH1A1 (0.51) | PRKACAGSK3APRKXROCK1CLK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761491-A1 | NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 | AstraZeneca AB (SE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006001752-A1 | NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 | ASTRAZENECA AB (SE) | 2006-01-05 | — | — | WO | disclosed |