Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 20/20 | 0.72 |
| ▸ | ROCK1 | Q13464 | 14/20 | 0.72 |
| ▸ | CCR2 | P41597 | 6/20 | 0.63 |
| ▸ | ARHGDIA | P52565 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL14514431 | 1.00 | ROCK2 (0.72) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL1717403 | 0.88 | ROCK2 (0.77) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL14514413 | 0.87 | ROCK2 (0.81) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL1716618 | 0.87 | ROCK2 (0.81) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL14514415 | 0.87 | ROCK2 (0.81) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL14514385 | 0.86 | ROCK2 (0.67) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL1716290 | 0.86 | ROCK2 (0.67) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL14514384 | 0.86 | ROCK2 (0.67) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL14514371 | 0.84 | ROCK2 (1.00) | ROCK2ROCK1CCR2ARHGDIACYP3A4 | |
| SCHEMBL1716541 | 0.84 | ROCK2 (1.00) | ROCK2ROCK1CCR2ARHGDIACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7217722-B2 | Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same | KIRIN BEER KABUSHIKI KAISHA (JP) | 2007-05-15 | — | — | US | disclosed |
| US-7217722-B2 | Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same | KIRIN BEER KABUSHIKI KAISHA (JP) | 2007-05-15 | — | — | US | disclosed |