Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.59 |
| ▸ | ROCK1 | Q13464 | 13/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141146 | 0.88 | ROCK2 (0.59) | ROCK2ROCK1SMN1; SMN2HIF1AMMP3 | |
| SCHEMBL18595025 | 0.86 | ROCK2 (0.55) | ROCK2ROCK1SMN1; SMN2HIF1AMMP3 | |
| SCHEMBL6880276 | 0.86 | ROCK2 (0.65) | ROCK2ROCK1MMP3 | |
| SCHEMBL15145661 | 0.86 | PPID (0.60) | ROCK2ROCK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6316630 | 0.84 | ROCK2 (0.62) | ROCK2ROCK1MMP3 | |
| SCHEMBL7140708 | 0.83 | ROCK2 (0.52) | ROCK2ROCK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7301734 | 0.83 | SMN1; SMN2 (0.67) | ROCK2ROCK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7140468 | 0.83 | ROCK2 (0.54) | ROCK2ROCK1HIF1AGAA | |
| SCHEMBL27575975 | 0.83 | ROCK2 (0.54) | ROCK2ROCK1SMN1; SMN2MMP3LCK | |
| SCHEMBL27558247 | 0.83 | ROCK2 (0.54) | ROCK2ROCK1SMN1; SMN2MMP3LCK |
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 |
|---|---|---|---|---|---|---|---|
| US-9586916-B2 | Integrin antagonist conjugates for targeted delivery to cells expressing alpha-V-beta-3 | HOFFMANN-LA ROCHE INC. (US) | 2017-03-07 | — | — | US | disclosed |