Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 10/20 | 0.65 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.63 |
| ▸ | ROCK1 | Q13464 | 10/20 | 0.63 |
| ▸ | CDC42BPB | Q9Y5S2 | 10/20 | 0.63 |
| ▸ | CDC42BPA | Q5VT25 | 6/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL16178269 | 0.80 | LRRK2 (1.00) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL28049907 | 0.78 | LRRK2 (0.77) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL20758415 | 0.78 | ROCK2 (1.00) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL29869471 | 0.78 | ROCK2 (1.00) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL16190651 | 0.75 | LRRK2 (0.67) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL20744117 | 0.73 | ROCK2 (1.00) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL30668734 | 0.73 | ROCK2 (1.00) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL30543157 | 0.72 | LRRK2 (1.00) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL30674338 | 0.72 | LRRK2 (0.66) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA | |
| SCHEMBL2105745 | 0.72 | LRRK2 (1.00) | LRRK2ROCK2ROCK1CDC42BPBCDC42BPA |
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-2709997-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| WO-2012156334-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-22 | — | — | WO | disclosed |