Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.63 |
| ▸ | ROCK2 | O75116 | 12/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 11/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.62 |
| ▸ | PRKACA | P17612 | 2/20 | 0.62 |
| ▸ | PRKX | P51817 | 2/20 | 0.62 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.62 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.62 |
| ▸ | GSK3A | P49840 | 1/20 | 0.62 |
| ▸ | GSK3B | P49841 | 1/20 | 0.62 |
| ▸ | GRK5 | P34947 | 1/20 | 0.62 |
| ▸ | CLK1 | P49759 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CLK2 | P49760 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1648864 | 0.87 | ROCK2 (0.62) | ROCK2ROCK1PRKACACLK1 | |
| SCHEMBL19723671 | 0.85 | CLK1 (0.61) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1648102 | 0.80 | CLK1 (0.52) | AURKAROCK2ROCK1PRKACAPRKX | |
| SCHEMBL1649558 | 0.79 | AURKA (0.63) | AURKAROCK2ROCK1CYP3A4CYP2D6 | |
| SCHEMBL1649570 | 0.79 | ROCK2 (0.51) | AURKAROCK2ROCK1CYP3A4CYP2D6 | |
| SCHEMBL1648098 | 0.78 | ROCK2 (0.55) | ROCK2ROCK1PRKACA | |
| SCHEMBL1584297 | 0.77 | ROCK2 (1.00) | AURKAROCK2ROCK1CYP3A4CYP2D6 | |
| SCHEMBL1649562 | 0.76 | ROCK1 (0.66) | AURKAROCK2ROCK1CYP3A4CYP2D6 | |
| SCHEMBL23384852 | 0.75 | ROCK2 (0.50) | ROCK2ROCK1PRKACA | |
| SCHEMBL25719243 | 0.74 | ROCK2 (0.93) | AURKAROCK2ROCK1CYP3A4CYP2D6 |
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 |