Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28746537 | 0.89 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL50253 | 0.78 | — | — | |
| SCHEMBL2528644 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TRPA1LMNA | |
| SCHEMBL28584237 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TRPA1LMNA | |
| Ammonia Solution, Strong SCHEMBL11672040 | 0.74 | — | — | |
| SCHEMBL18134202 | 0.74 | — | — | |
| SCHEMBL187063 | 0.74 | — | — | |
| SCHEMBL109050 | 0.74 | EPHX1 (0.35) | — | |
| SCHEMBL22160 | 0.71 | — | — | |
| Benzene SCHEMBL11077172 | 0.69 | TRPA1 (0.52) | ALDH1A1TRPA1LMNA |
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-115650827-B | Preparation method, intermediate compound and synthesis method for anthracycline derivatives | 戊言医药科技（上海）有限公司 | 2024-03-15 | — | — | CN | claimed |