Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL15068063 | 0.83 | AURKA (0.33) | AURKATTKAURKBINCENPBRD4 | |
| SCHEMBL20155077 | 0.78 | AURKA (0.30) | AURKATTKAURKBINCENP | |
| SCHEMBL20155558 | 0.77 | — | — | |
| SCHEMBL20155561 | 0.75 | ALDH1A1 (0.40) | KDM4EALDH1A1MAPT | |
| SCHEMBL31439950 | 0.71 | ATAD2 (0.39) | AURKATTKAURKBINCENPBRD4 | |
| SCHEMBL16650601 | 0.70 | BRD4 (0.34) | BRD4 | |
| SCHEMBL20704658 | 0.70 | BRD4 (0.33) | BRD4KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL1983704 | 0.67 | MEN1 (0.41) | AURKATTKAURKBINCENPHDAC8 | |
| SCHEMBL106685 | 0.67 | AURKA (0.49) | AURKATTKAURKBINCENPHDAC8 | |
| SCHEMBL12098798 | 0.66 | CA2 (0.41) | CA1CA2CA9HDAC8CA3 |
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 |