Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21624367 | 1.00 | CES1 (0.39) | CES1PDE7A | |
| SCHEMBL21624363 | 0.79 | — | — | |
| SCHEMBL30668480 | 0.79 | — | — | |
| SCHEMBL21624397 | 0.79 | CES1 (0.46) | CES1PDE7A | |
| SCHEMBL30668476 | 0.79 | CES1 (0.46) | CES1PDE7A | |
| SCHEMBL21624387 | 0.78 | PDE7A (0.39) | PDE7A | |
| SCHEMBL30668457 | 0.78 | PDE7A (0.39) | PDE7A | |
| SCHEMBL30006272 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL21624319 | 0.75 | NR3C1 (0.31) | — | |
| SCHEMBL21624326 | 0.75 | — | — |
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 |