Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUAK1 | O60285 | 2/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | DCLK1 | O15075 | 4/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 0.40 |
| ▸ | PIK3C2G | O75747 | 2/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.40 |
| ▸ | WEE1 | P30291 | 2/20 | 0.40 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | ULK1 | O75385 | 4/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 3/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16065843 | 0.84 | NUAK1 (0.63) | NUAK1DCLK1LRRK2PIK3CDAURKA | |
| SCHEMBL21938134 | 0.76 | DCLK1 (0.68) | DCLK1LRRK2PIK3CDAURKAPIK3C2G | |
| SCHEMBL20628525 | 0.75 | AURKA (0.69) | DCLK1LRRK2PIK3CDAURKAPIK3C2G | |
| SCHEMBL21938547 | 0.75 | PIK3CD (0.70) | GSK3AGSK3BDCLK1LRRK2PIK3CD | |
| SCHEMBL10098750 | 0.73 | NUAK1 (0.79) | NUAK1DCLK1LRRK2PIK3CDAURKA | |
| SCHEMBL17465858 | 0.72 | NUAK1 (0.67) | NUAK1DCLK1LRRK2PIK3CDAURKA | |
| SCHEMBL22605998 | 0.71 | NUAK1 (0.68) | NUAK1DCLK1LRRK2PIK3CDAURKA | |
| SCHEMBL16065850 | 0.70 | LRRK2 (0.65) | NUAK1DCLK1LRRK2PIK3CDAURKA | |
| SCHEMBL20628496 | 0.69 | DCLK1 (0.38) | NUAK1DCLK1LRRK2PIK3CDAURKA | |
| SCHEMBL10098751 | 0.68 | NUAK1 (0.62) | NUAK1GSK3BDCLK1LRRK2PIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3738964-A1 | PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS | Dana Farber Cancer Institute, Inc. (US) | 2020-11-18 | — | — | EP | disclosed |