Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.45 |
| ▸ | SYK | P43405 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3395594 | 0.91 | MAP4K1 (0.44) | MAP4K1SYKCDK2DGAT1ALK | |
| SCHEMBL3399624 | 0.91 | JAK3 (0.37) | MAP4K1SYKALKJAK3HTR1A | |
| SCHEMBL3395584 | 0.87 | MAP4K1 (0.45) | MAP4K1SYK | |
| SCHEMBL3396434 | 0.84 | MAP4K1 (0.43) | MAP4K1SYKCDK2JAK3KCNH2 | |
| SCHEMBL2276012 | 0.82 | JAK3 (0.50) | MAP4K1SYKCDK2AKR1C3JAK3 | |
| SCHEMBL3394239 | 0.82 | FLT3 (0.40) | MAP4K1CDK2ALKJAK3 | |
| SCHEMBL3398822 | 0.79 | ITGB2 (0.39) | CDK2ALKJAK3 | |
| SCHEMBL3396459 | 0.78 | MAP4K1 (0.39) | MAP4K1SYKJAK3 | |
| SCHEMBL3398973 | 0.77 | JAK3 (0.40) | MAP4K1CDK2JAK3CHEK1 | |
| SCHEMBL3398594 | 0.76 | MAPK1 (0.38) | MAP4K1SYKJAK3 |
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 |