Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 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 | |
|---|---|---|---|---|
| SCHEMBL21624317 | 1.00 | CES1 (0.33) | CES1ALDH1A1PDE7A | |
| SCHEMBL21636837 | 1.00 | CES1 (0.33) | CES1ALDH1A1PDE7A | |
| SCHEMBL21624318 | 1.00 | CES1 (0.33) | CES1ALDH1A1PDE7A | |
| SCHEMBL21636891 | 0.84 | TOP2A (0.30) | — | |
| SCHEMBL30006267 | 0.84 | TOP2A (0.30) | — | |
| SCHEMBL23658660 | 0.82 | APOBEC3A (0.31) | ALDH1A1 | |
| SCHEMBL30006046 | 0.82 | APOBEC3A (0.31) | ALDH1A1 | |
| SCHEMBL23658904 | 0.82 | APOBEC3A (0.31) | ALDH1A1 | |
| SCHEMBL23648061 | 0.79 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL23648059 | 0.79 | ALDH1A1 (0.34) | ALDH1A1 |
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-112771046-B | Other substituted triazoloquinoxaline derivatives | 格吕伦塔尔有限公司 | 2023-09-19 | — | — | CN | disclosed |