Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKACA | P17612 | 3/20 | 0.49 |
| ▸ | GSK3A | P49840 | 3/20 | 0.49 |
| ▸ | PRKX | P51817 | 3/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
| ▸ | PRKCG | P05129 | 2/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2079846 | 0.82 | RIPK1 (0.47) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL376730 | 0.82 | RIPK1 (0.47) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL2079847 | 0.82 | RIPK1 (0.47) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL8722488 | 0.81 | ALDH1A1 (0.51) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL6825365 | 0.81 | ALDH1A1 (0.51) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL24134195 | 0.81 | PRKACA (0.44) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL974235 | 0.81 | ALDH1A1 (0.51) | PRKACAGSK3APRKXROCK1CLK4 | |
| SCHEMBL27400103 | 0.81 | AOC3 (0.50) | TACR3KDM4ERPS6KB1ALDH1A1RIPK1 | |
| SCHEMBL5501698 | 0.79 | PRKACA (0.47) | PRKACAGSK3APRKXROCK1CLK4 | |
| Hydrochloric Acid SCHEMBL11398988 | 0.79 | ALDH1A1 (0.50) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016095089-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |