Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | TTK | P33981 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.30 |
| ▸ | INCENP | Q9NQS7 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155558 | 0.87 | — | — | |
| SCHEMBL20155569 | 0.78 | AURKA (0.34) | AURKATTKAURKBINCENP | |
| SCHEMBL15068063 | 0.71 | AURKA (0.33) | AURKATTKAURKBINCENP | |
| SCHEMBL20155561 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL16650601 | 0.63 | BRD4 (0.34) | — | |
| SCHEMBL20154923 | 0.60 | BRD4 (0.38) | — | |
| SCHEMBL106685 | 0.60 | AURKA (0.49) | AURKATTKAURKBINCENP | |
| SCHEMBL23233752 | 0.59 | BRD4 (0.38) | — | |
| SCHEMBL16651641 | 0.59 | BRD4 (0.58) | — | |
| SCHEMBL22990247 | 0.59 | MAP2K1 (0.35) | — |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |