Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22076875 | 0.82 | NPC1 (0.37) | S1PR1S1PR3ALDH1A1 | |
| SCHEMBL22076876 | 0.82 | NPC1 (0.37) | S1PR1S1PR3ALDH1A1 | |
| SCHEMBL20605289 | 0.77 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL20605293 | 0.77 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL29025878 | 0.76 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL30478696 | 0.76 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL19322331 | 0.74 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL2249233 | 0.74 | IMPDH2 (0.36) | ALDH1A1 | |
| SCHEMBL24167727 | 0.73 | EGFR (0.40) | ALDH1A1 | |
| SCHEMBL6588041 | 0.73 | EGFR (0.40) | 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-109422755-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-07-04 | — | — | CN | disclosed |