Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.37 |
| ▸ | STK4 | Q13043 | 2/20 | 0.37 |
| ▸ | STK3 | Q13188 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2876892 | 0.80 | ROCK2 (0.43) | ROCK2ROCK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2876171 | 0.76 | CDC42BPB (0.41) | ROCK2ROCK1CDC42BPB | |
| SCHEMBL2876221 | 0.75 | AKT1 (0.43) | ROCK2ROCK1 | |
| SCHEMBL2877177 | 0.74 | ROCK2 (0.41) | ROCK2ROCK1KITKDR | |
| SCHEMBL2876778 | 0.73 | AKT1 (0.41) | ROCK2ROCK1 | |
| SCHEMBL2875905 | 0.73 | ROCK2 (0.42) | ROCK2ROCK1CDC42BPB | |
| SCHEMBL2876524 | 0.72 | ROCK1 (0.36) | ROCK2ROCK1CDC42BPBLRRK2STK3 | |
| SCHEMBL2870920 | 0.72 | AKT1 (0.35) | ROCK2ROCK1ALDH1A1 | |
| SCHEMBL2876511 | 0.70 | AKT1 (0.35) | ROCK1 | |
| SCHEMBL20746151 | 0.68 | ALDH1A1 (0.51) | POLBALDH1A1MEN1KMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2002836-B1 | Cyclocondensed azaindoles active as kinase inhibitors | NERVIANO MEDICAL SCIENCES SRL (IT) | 2010-10-20 | — | — | EP | claimed |