Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 20/20 | 0.75 |
| ▸ | CDK5 | Q00535 | 16/20 | 0.75 |
| ▸ | CDK5R1 | Q15078 | 16/20 | 0.75 |
| ▸ | CCNB2 | O95067 | 16/20 | 0.75 |
| ▸ | CDK1 | P06493 | 16/20 | 0.75 |
| ▸ | CCNB1 | P14635 | 16/20 | 0.75 |
| ▸ | CCNB3 | Q8WWL7 | 16/20 | 0.75 |
| ▸ | GSK3A | P49840 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CDC7 | O00311 | 1/20 | 0.53 |
| ▸ | PLK4 | O00444 | 1/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.53 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14488716 | 0.91 | GSK3B (0.81) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL5688936 | 0.86 | GSK3B (1.00) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL17481541 | 0.86 | GSK3B (0.84) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL30319854 | 0.86 | GSK3B (1.00) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL4177498 | 0.85 | GSK3B (0.80) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL5690374 | 0.85 | GSK3B (1.00) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL30319783 | 0.85 | GSK3B (1.00) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL30319796 | 0.84 | GSK3B (1.00) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL5688227 | 0.84 | GSK3B (1.00) | GSK3BCDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL17481536 | 0.84 | GSK3B (0.78) | GSK3BCDK5CDK5R1CCNB2CDK1 |
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-2009010298-A2 | PAULLONE DERIVATIVES AND ITS USE | TECHNISCHE UNIVERSITÄT CAROLO-WILHELMINA ZU BRAUNSCHWEIG (DE) | 2009-01-22 | — | — | WO | disclosed |