Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.33 |
| ▸ | BPTF | Q12830 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3397048 | 0.90 | JAK3 (0.39) | JAK3MAPK1CYP2D6SYK | |
| SCHEMBL3395555 | 0.90 | JAK3 (0.37) | JAK3MAPK1CYP2D6SYK | |
| SCHEMBL3391915 | 0.88 | JAK3 (0.37) | JAK3MAPK1ROCK2ROCK1CDC42BPB | |
| SCHEMBL3393932 | 0.88 | JAK3 (0.36) | JAK3MAPK1CYP2D6SYK | |
| SCHEMBL3397161 | 0.85 | JAK3 (0.38) | JAK3MAPK1 | |
| SCHEMBL3398973 | 0.85 | JAK3 (0.40) | JAK3MAPK1ROCK2ROCK1IRAK4 | |
| SCHEMBL3397072 | 0.85 | JAK3 (0.36) | JAK3MAPK1CYP2D6SYK | |
| SCHEMBL3396503 | 0.85 | JAK3 (0.39) | JAK3MAPK1IRAK4 | |
| SCHEMBL3399410 | 0.85 | JAK3 (0.36) | JAK3MAPK1KHK | |
| SCHEMBL3395609 | 0.84 | PRKCA (0.41) | JAK3MAPK1ROCK2ROCK1CDC42BPB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | claimed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | claimed |