Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 9/20 | 0.60 |
| ▸ | CLK1 | P49759 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | PRKACA | P17612 | 2/20 | 0.46 |
| ▸ | PRKX | P51817 | 2/20 | 0.46 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12779966 | 0.88 | ROCK1 (0.60) | ROCK2ROCK1KDM4ELMNAPKM | |
| SCHEMBL1648242 | 0.83 | ROCK2 (0.63) | ROCK2ROCK1CLK1KDM4EADORA3 | |
| SCHEMBL1648112 | 0.82 | ROCK2 (0.61) | ROCK2ROCK1PRKACA | |
| SCHEMBL19723792 | 0.82 | LMNA (0.59) | ROCK2ROCK1CLK1KDM4ELMNA | |
| SCHEMBL3810618 | 0.81 | ROCK2 (0.75) | ROCK2ROCK1ADORA3ADORA2AADORA2B | |
| SCHEMBL19723718 | 0.79 | LMNA (0.57) | ROCK2ROCK1KDM4ELMNAPKM | |
| SCHEMBL1647159 | 0.78 | ROCK2 (0.62) | ROCK2ROCK1ADORA3ADORA2AADORA2B | |
| SCHEMBL19723600 | 0.78 | KDM4E (0.54) | ROCK2ROCK1CLK1KDM4ELMNA | |
| SCHEMBL19723759 | 0.76 | LMNA (0.64) | ROCK2ROCK1KDM4ELMNAPKM | |
| SCHEMBL3120901 | 0.76 | ROCK2 (1.00) | ROCK2ROCK1ADORA3ADORA2AADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011050245-A1 | BICYCLIC HETEROARYLS AS KINASE INHIBITORS | FENG YANGBO (US) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011050245-A1 | BICYCLIC HETEROARYLS AS KINASE INHIBITORS | FENG YANGBO (US) | 2011-04-28 | — | — | WO | disclosed |