Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.31 |
| ▸ | CA2 | P00918 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25513621 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CA1CA2 | |
| SCHEMBL25513628 | 0.98 | ALDH1A1 (0.38) | ALDH1A1CA1CA2 | |
| SCHEMBL19911654 | 0.83 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL18085846 | 0.83 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL25513623 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL25513620 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL3043505 | 0.81 | CA1 (0.33) | ALDH1A1CA1CA2 | |
| SCHEMBL12971204 | 0.81 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL19863549 | 0.80 | PTPN2 (0.33) | ALDH1A1CA1CA2 | |
| SCHEMBL19863445 | 0.80 | ALDH1A1 (0.31) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2023085800-A1 | COMPOUND, METHOD FOR PREPARING SAME, AND SINGLE MOLECULE AND POLYMER DERIVED FROM SAME | 주식회사 엘지화학 | 2023-05-19 | — | — | WO | disclosed |