Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15091255 | 1.00 | NOS2 (0.46) | NOS2NOS3ASIC3IDH1XIAP | |
| SCHEMBL23021115 | 0.87 | NOS2 (0.46) | NOS2NOS3ASIC3IDH1XIAP | |
| SCHEMBL17489106 | 0.84 | PGK1 (0.41) | ADORA2ASYKHCRTR1HCRTR2PGK1 | |
| SCHEMBL77583 | 0.82 | NOS2 (0.50) | NOS2NOS3ASIC3IDH1XIAP | |
| SCHEMBL30695913 | 0.82 | NOS2 (0.50) | NOS2NOS3ASIC3IDH1XIAP | |
| Hydrochloric Acid SCHEMBL9985132 | 0.80 | NOS2 (0.48) | NOS2NOS3ASIC3IDH1XIAP | |
| SCHEMBL27281176 | 0.78 | NOS2 (0.41) | NOS2NOS3ASIC3IDH1XIAP | |
| SCHEMBL22828437 | 0.78 | NOS3 (0.46) | NOS2NOS3ASIC3IDH1XIAP | |
| SCHEMBL13094368 | 0.77 | PGK1 (0.38) | SYKHCRTR1HCRTR2PGK1PGK2 | |
| Hydrochloric Acid SCHEMBL23649640 | 0.77 | NOS3 (0.45) | NOS2NOS3ASIC3IDH1XIAP |
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 |
|---|---|---|---|---|---|---|---|
| CN-113614087-B | WEE1 inhibitor and preparation and application thereof | 首药控股(北京)股份有限公司 | 2023-06-02 | — | — | CN | disclosed |