Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 2/20 | 0.42 |
| ▸ | BTK | Q06187 | 2/20 | 0.37 |
| ▸ | ITK | Q08881 | 2/20 | 0.37 |
| ▸ | PDE1A | P54750 | 4/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 4/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL3398762 | 0.82 | JAK3 (0.43) | JAK3BTKITKIRAK1SYK | |
| SCHEMBL2280999 | 0.80 | JAK3 (0.59) | JAK3BTKITKATRSYK | |
| SCHEMBL3394454 | 0.80 | JAK3 (0.41) | JAK3BTKITKSYKMAPK1 | |
| SCHEMBL3396373 | 0.79 | JAK3 (0.44) | JAK3BTKITKMAPK1 | |
| SCHEMBL3397744 | 0.78 | NPC1 (0.41) | JAK3BTKITKATRSYK | |
| SCHEMBL3396088 | 0.78 | JAK3 (0.42) | JAK3BTKITKIRAK4SYK | |
| SCHEMBL3398248 | 0.77 | MAPK1 (0.40) | JAK3BTKITKSYKMAPK1 | |
| SCHEMBL3399105 | 0.77 | JAK3 (0.39) | JAK3BTKITKSYKMAPK1 | |
| SCHEMBL3396178 | 0.76 | BTK (0.41) | JAK3BTKITKATRSYK | |
| SCHEMBL3399285 | 0.76 | PDPK1 (0.38) | JAK3BTKITKSYKMAPK1 |
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-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 |
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | disclosed |