Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.34 |
| ▸ | JAK3 | P52333 | 3/20 | 0.34 |
| ▸ | SYK | P43405 | 3/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 3/20 | 0.32 |
| ▸ | ITK | Q08881 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3397072 | 0.90 | JAK3 (0.36) | MAPK1JAK3SYKATRBTK | |
| SCHEMBL3399086 | 0.89 | JAK3 (0.36) | MAPK1JAK3SYKATRBTK | |
| SCHEMBL3395762 | 0.85 | USP2 (0.41) | MAPK1JAK3ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL3399102 | 0.85 | JAK3 (0.36) | LRRK2MAPK1JAK3SYKATR | |
| SCHEMBL3398755 | 0.84 | USP2 (0.42) | MAPK1JAK3SYKALDH1A1HIF1A | |
| SCHEMBL3397048 | 0.83 | JAK3 (0.39) | MAPK1JAK3SYKATRBTK | |
| SCHEMBL3395555 | 0.83 | JAK3 (0.37) | MAPK1JAK3SYKATRBTK | |
| SCHEMBL3396246 | 0.83 | JAK3 (0.34) | MAPK1JAK3BTKITKMAP4K1 | |
| SCHEMBL3396245 | 0.83 | MAPK1 (0.36) | LRRK2MAPK1JAK3SYKATR | |
| SCHEMBL3395125 | 0.83 | PIM1 (0.34) | MAPK1JAK3BTKITKMAP4K1 |
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 |