Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 16/20 | 1.00 |
| ▸ | IRAK1 | P51617 | 3/20 | 1.00 |
| ▸ | MTOR | P42345 | 1/20 | 1.00 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.72 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.72 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.72 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.72 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.72 |
| ▸ | CDK1 | P06493 | 1/20 | 0.72 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.72 |
| ▸ | MARK3 | P27448 | 1/20 | 0.72 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.72 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.72 |
| ▸ | CLK2 | P49760 | 1/20 | 0.72 |
| ▸ | GSK3B | P49841 | 1/20 | 0.72 |
| ▸ | NEK4 | P51957 | 1/20 | 0.72 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.72 |
| ▸ | ITK | Q08881 | 1/20 | 0.72 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.72 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL3600534 | 1.00 | IRAK4 (1.00) | IRAK4IRAK1MTORDYRK3ROCK2 | |
| SCHEMBL175464 | 0.91 | IRAK4 (0.82) | IRAK4IRAK1MTORDYRK3ROCK2 | |
| SCHEMBL3604209 | 0.89 | IRAK4 (0.79) | IRAK4IRAK1MTORDYRK3ROCK2 | |
| SCHEMBL25956628 | 0.86 | IRAK4 (1.00) | IRAK4IRAK1MTORDYRK3ROCK2 | |
| SCHEMBL16261073 | 0.85 | MTOR (0.74) | IRAK4IRAK1MTORKDM4ENPSR1 | |
| SCHEMBL29827291 | 0.85 | IRAK4 (0.89) | IRAK4IRAK1MTORDYRK3ROCK2 | |
| SCHEMBL25956620 | 0.85 | IRAK4 (0.89) | IRAK4IRAK1MTORDYRK3ROCK2 | |
| SCHEMBL18427725 | 0.84 | IRAK4 (1.00) | IRAK4IRAK1MTORDYRK3ROCK2 | |
| SCHEMBL25956637 | 0.84 | IRAK4 (1.00) | IRAK4IRAK1MTORDYRK3ROCK2 | |
| SCHEMBL13500540 | 0.83 | OPRK1 (0.86) | IRAK4IRAK1MTORKDM4ENPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4185279-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | Secura Bio, Inc. (US) | 2023-05-31 | — | — | EP | disclosed |
| CN-105682658-B | Cancer therapy using PI3 kinase subtype modulators | 无限药品公司 | 2022-04-05 | — | — | CN | disclosed |
| WO-2022019920-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | VERASTEM, INC. (US) | 2022-01-27 | — | — | WO | disclosed |