Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | MET | P08581 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.42 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2877126 | 0.82 | ROCK2 (0.54) | ROCK2TRPA1METCYP3A4NUDT1 | |
| SCHEMBL6250290 | 0.80 | ROCK2 (0.48) | ROCK2TRPA1METCYP3A4NUDT1 | |
| SCHEMBL4817550 | 0.78 | ROCK2 (0.58) | ROCK2TRPA1METCYP3A4 | |
| SCHEMBL6221013 | 0.78 | ROCK2 (0.46) | ROCK2METCYP3A4NUDT1MAP4K1 | |
| SCHEMBL2879856 | 0.77 | TRPA1 (0.52) | ROCK2TRPA1METCYP3A4BRAF | |
| SCHEMBL22772301 | 0.76 | MAP4K1 (0.49) | ROCK2TRPA1METCYP3A4NUDT1 | |
| SCHEMBL2879737 | 0.76 | ROCK2 (0.65) | ROCK2TRPA1METCYP3A4 | |
| SCHEMBL31554522 | 0.76 | ROCK2 (0.65) | ROCK2TRPA1METCYP3A4 | |
| SCHEMBL4811381 | 0.75 | ROCK2 (0.55) | ROCK2TRPA1METCYP3A4KDR | |
| SCHEMBL4821345 | 0.75 | ROCK2 (0.57) | ROCK2METCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761268-A4 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-1761268-A2 | PYRROLOTRIAZINE KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006004833-A2 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-01-12 | — | — | WO | disclosed |