Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28908683 | 0.91 | ALDH1A1 (0.53) | ALDH1A1TP53CYP3A4TSHRMGLL | |
| SCHEMBL8837669 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TP53CYP3A4TSHRMGLL | |
| SCHEMBL27471277 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TP53CYP3A4TSHRMGLL | |
| SCHEMBL21835616 | 0.79 | ALDH1A1 (0.68) | ALDH1A1TP53CYP3A4MGLL | |
| SCHEMBL27504239 | 0.79 | ALDH1A1 (0.71) | ALDH1A1TP53CYP3A4TSHRMGLL | |
| SCHEMBL31558736 | 0.79 | ALDH1A1 (0.71) | ALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL8837734 | 0.79 | ALDH1A1 (0.71) | ALDH1A1TP53CYP3A4TSHRMGLL | |
| SCHEMBL23451351 | 0.78 | ALDH1A1 (0.57) | ALDH1A1TP53CYP3A4TSHRMGLL | |
| SCHEMBL352594 | 0.78 | ALDH1A1 (0.57) | ALDH1A1TP53CYP3A4MGLL | |
| SCHEMBL7768851 | 0.77 | ALDH1A1 (0.71) | ALDH1A1TP53CYP3A4TSHRMGLL |
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-104662012-B | The preparation method of the keeping method of episulfide compound and the thio epoxiess optical material using above-mentioned episulfide compound | 可奥熙搜路司有限公司 | 2017-04-05 | — | — | CN | disclosed |