Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | WNT1 | P04628 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.33 |
| ▸ | PI4KA | P42356 | 3/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | LIPC | P11150 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.32 |
| ▸ | TBK1 | Q9UHD2 | 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 | |
|---|---|---|---|---|
| SCHEMBL780984 | 0.79 | IDO1 (0.39) | ROCK2SCD | |
| SCHEMBL4351957 | 0.77 | ROCK2 (0.44) | ROCK2SCDGSK3BDYRK1AHSP90AA1 | |
| SCHEMBL15742917 | 0.75 | ROCK2 (0.60) | ROCK2SCDGSK3BDYRK1AWNT1 | |
| SCHEMBL23607857 | 0.74 | ROCK2 (0.51) | ROCK2SCDGSK3BDYRK1AWNT1 | |
| SCHEMBL30969365 | 0.74 | ROCK2 (0.51) | ROCK2SCDGSK3BDYRK1AWNT1 | |
| SCHEMBL559016 | 0.73 | GSK3B (0.53) | ROCK2GSK3BDYRK1AWNT1TTK | |
| SCHEMBL4355201 | 0.72 | ROCK2 (0.42) | ROCK2SCDGSK3BDYRK1AHSP90AA1 | |
| SCHEMBL14771857 | 0.72 | ROCK2 (0.54) | ROCK2SCDGSK3BDYRK1APIK3CD | |
| SCHEMBL31147953 | 0.72 | ROCK2 (0.51) | ROCK2SCDGSK3BDYRK1AWNT1 | |
| SCHEMBL29640785 | 0.72 | ROCK2 (0.54) | ROCK2SCDGSK3BDYRK1APIK3CD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008059259-A2 | ANTICANCER COMPOUNDS WITH A BENZO ( 1, 2, 4 ) TRIAZIN-3YL-AMINE CORE | SENTINEL ONCOLOGY LIMITED (GB) | 2008-05-22 | — | — | WO | disclosed |