Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 10/20 | 0.62 |
| ▸ | PRKACA | P17612 | 2/20 | 0.49 |
| ▸ | PRKACG | P22612 | 1/20 | 0.49 |
| ▸ | PRKACB | P22694 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | PRKX | P51817 | 1/20 | 0.48 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | KLK1 | P06870 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL1649787 | 0.87 | ROCK1 (0.57) | ROCK2ROCK1PRKACACYP3A4CYP2D6 | |
| SCHEMBL3810618 | 0.83 | ROCK2 (0.75) | ROCK2ROCK1PRKACACYP3A4CYP2D6 | |
| SCHEMBL1648135 | 0.81 | PRKACA (0.73) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1649533 | 0.78 | ROCK2 (0.61) | ROCK2ROCK1PRKACACYP3A4CYP2D6 | |
| SCHEMBL12779966 | 0.78 | ROCK1 (0.60) | ROCK2ROCK1PRKACAPRKXPRKCQ | |
| SCHEMBL1647671 | 0.78 | ROCK2 (0.71) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1647555 | 0.78 | ROCK1 (0.58) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1649591 | 0.77 | ROCK2 (1.00) | ROCK2ROCK1PRKACAPRKACGPRKACB | |
| SCHEMBL1648242 | 0.76 | ROCK2 (0.63) | ROCK2ROCK1PRKACACYP3A4CYP2D6 | |
| SCHEMBL3120901 | 0.76 | ROCK2 (1.00) | ROCK2ROCK1ADORA2AADORA3ADORA2B |
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 |