Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CDC20 | Q12834 | 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 | |
|---|---|---|---|---|
| SCHEMBL29223124 | 0.79 | PTGS2 (0.41) | ALDH1A1 | |
| SCHEMBL4767426 | 0.73 | KMT2A (0.41) | ALDH1A1 | |
| SCHEMBL4766678 | 0.72 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL4773802 | 0.72 | L3MBTL1 (0.48) | — | |
| SCHEMBL4770069 | 0.72 | ATF1 (0.41) | PIN1ALDH1A1 | |
| SCHEMBL4764898 | 0.72 | ESR1 (0.42) | ALDH1A1 | |
| SCHEMBL4773796 | 0.71 | CTSA (0.39) | — | |
| SCHEMBL4764829 | 0.71 | PIN1 (0.38) | PIN1ALDH1A1 | |
| SCHEMBL17384352 | 0.70 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL4769616 | 0.69 | NFKB1 (0.46) | — |
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-117917406-A | Heterocyclic compounds, process for their preparation and their use | 四川科伦博泰生物医药股份有限公司 | 2024-04-23 | — | — | CN | disclosed |