Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.37 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.35 |
| ▸ | KLK1 | P06870 | 3/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.35 |
| ▸ | ITGAL | P20701 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.34 |
| ▸ | MELK | Q14680 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3399528 | 0.89 | LRRK2 (0.39) | HRH4HRH3JAK3KLKB1KLK1 | |
| SCHEMBL3397988 | 0.89 | LRRK2 (0.39) | HRH4HRH3JAK3KLKB1KLK1 | |
| SCHEMBL3399555 | 0.89 | ITGB2 (0.39) | ROCK2ROCK1CDC42BPBJAK3KLKB1 | |
| SCHEMBL3393905 | 0.87 | MCHR1 (0.37) | HRH4HRH3ROCK2ROCK1CDC42BPA | |
| SCHEMBL3401949 | 0.85 | MAPK1 (0.35) | JAK3DYRK1A | |
| SCHEMBL3391915 | 0.82 | JAK3 (0.37) | ROCK2ROCK1CDC42BPACDC42BPBJAK3 | |
| SCHEMBL3398822 | 0.81 | ITGB2 (0.39) | JAK3DYRK1AITGB2ICAM1ITGAL | |
| SCHEMBL3401593 | 0.81 | SYK (0.36) | ROCK2ROCK1CDC42BPACDC42BPBJAK3 | |
| SCHEMBL1895493 | 0.81 | JAK3 (0.47) | HRH4HRH3ROCK2ROCK1CDC42BPA | |
| SCHEMBL3401928 | 0.80 | MAP3K12 (0.34) | JAK3KLKB1KLK1LRRK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247592-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-10 | — | — | EP | claimed |
| WO-2009106442-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |
| EP-2247592-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106442-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |