Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.72 |
| ▸ | ROCK1 | Q13464 | 10/20 | 0.72 |
| ▸ | PRKACA | P17612 | 1/20 | 0.70 |
| ▸ | PRKACG | P22612 | 1/20 | 0.70 |
| ▸ | PRKACB | P22694 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.56 |
| ▸ | ITK | Q08881 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1647259 | 0.89 | PRKACA (0.67) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647884 | 0.84 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647780 | 0.82 | PRKACA (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12779512 | 0.81 | KDM4E (0.65) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL30036531 | 0.80 | ALDH1A1 (0.58) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12779513 | 0.79 | PRKACA (0.72) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647886 | 0.77 | PRKACA (0.83) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12779541 | 0.76 | ROCK1 (0.73) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL12779305 | 0.76 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL16163124 | 0.74 | ITK (0.62) | ROCK2PRKACAPRKACGPRKACBGSK3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011050245-A1 | BICYCLIC HETEROARYLS AS KINASE INHIBITORS | FENG YANGBO (US) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011050245-A1 | BICYCLIC HETEROARYLS AS KINASE INHIBITORS | FENG YANGBO (US) | 2011-04-28 | — | — | WO | disclosed |