Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | JUN | P05412 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | VCP | P55072 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13154940 | 0.80 | BRD4 (0.44) | BRD4PIK3CGVCPPDK2PDK4 | |
| SCHEMBL1443773 | 0.79 | BRD4 (0.40) | BRD4PIK3CGVCP | |
| SCHEMBL3398994 | 0.76 | TYRO3 (0.43) | BRD4TYRO3DYRK1BPIK3CGKDM4E | |
| SCHEMBL29133962 | 0.75 | TYRO3 (0.50) | TYRO3DYRK1BKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30661283 | 0.75 | TYRO3 (0.50) | TYRO3DYRK1BKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL15249199 | 0.75 | TYRO3 (0.32) | TYRO3DYRK1BKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12655295 | 0.73 | BRD4 (0.44) | BRD4PIK3CGVCP | |
| SCHEMBL20683899 | 0.72 | TYRO3 (0.43) | TYRO3DYRK1BKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1442184 | 0.71 | PIK3CG (0.33) | BRD4PIK3CGGAAHTTPDK2 | |
| SCHEMBL30882787 | 0.69 | ALOX15 (0.52) | KDM4EALDH1A1SMN1; SMN2NFKB1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023217201-A2 | NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF | 杭州德睿智药科技有限公司 | 2023-11-16 | — | — | WO | disclosed |
| WO-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |