Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 19/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 14/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL26966460 | 0.79 | AAK1 (0.53) | AAK1 | |
| SCHEMBL17456053 | 0.79 | ALDH1A1 (0.51) | AAK1ROCK2ROCK1 | |
| SCHEMBL17394707 | 0.77 | ROCK2 (0.69) | AAK1ROCK2ROCK1 | |
| SCHEMBL21768556 | 0.76 | AAK1 (0.58) | AAK1ROCK2ROCK1 | |
| SCHEMBL20611952 | 0.75 | ROCK2 (0.51) | AAK1ROCK2ROCK1 | |
| SCHEMBL15967871 | 0.74 | ROCK2 (0.71) | ROCK2ROCK1 | |
| SCHEMBL19398634 | 0.74 | ROCK2 (0.59) | ROCK2ROCK1 | |
| SCHEMBL15995418 | 0.74 | IMPDH2 (0.50) | AAK1ROCK2ROCK1 | |
| SCHEMBL1486263 | 0.72 | GAA (0.54) | — | |
| SCHEMBL15968317 | 0.72 | ROCK2 (0.69) | ROCK2ROCK1 |
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-3464262-B1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-02-26 | — | — | EP | disclosed |