Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 13/20 | 0.78 |
| ▸ | ROCK2 | O75116 | 12/20 | 0.78 |
| ▸ | PRKACA | P17612 | 1/20 | 0.59 |
| ▸ | PRKACG | P22612 | 1/20 | 0.59 |
| ▸ | PRKACB | P22694 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1649591 | 0.88 | ROCK2 (1.00) | ROCK1ROCK2PRKACAPRKACGPRKACB | |
| SCHEMBL1648224 | 0.83 | ROCK1 (0.61) | ROCK1ROCK2PRKACAPRKACGPRKACB | |
| SCHEMBL1649575 | 0.82 | ROCK2 (1.00) | ROCK1ROCK2PRKACAPRKACGPRKACB | |
| SCHEMBL1647888 | 0.79 | ROCK2 (1.00) | ROCK1ROCK2PRKACAPRKACGPRKACB | |
| SCHEMBL3810618 | 0.78 | ROCK2 (0.75) | ROCK1ROCK2PRKACAADORA3ADORA2A | |
| SCHEMBL1647630 | 0.76 | ROCK1 (0.73) | ROCK1ROCK2PRKACAPRKACGPRKACB | |
| SCHEMBL4926954 | 0.76 | ROCK2 (0.62) | ROCK1ROCK2KMT2AKDM4EADORA3 | |
| SCHEMBL12779704 | 0.76 | ROCK1 (0.53) | ROCK1ROCK2PRKACAPRKACGPRKACB | |
| SCHEMBL1647671 | 0.75 | ROCK2 (0.71) | ROCK1ROCK2PRKACAPRKACGPRKACB | |
| SCHEMBL12779554 | 0.75 | ROCK2 (1.00) | ROCK1ROCK2PRKACAPRKACGPRKACB |
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 |