Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL29649041 | 0.80 | ALDH1A1 (0.38) | ALDH1A1HPGDTSHRCA12CA1 | |
| SCHEMBL28859067 | 0.80 | TSHR (0.39) | ALDH1A1HPGDTSHRCA12CA1 | |
| SCHEMBL28638770 | 0.78 | — | — | |
| SCHEMBL1386987 | 0.76 | ALDH1A1 (0.36) | ALDH1A1HPGDTSHRCA12CA1 | |
| SCHEMBL29130561 | 0.74 | ALDH1A1 (0.36) | ALDH1A1HPGDTSHRCA12CA1 | |
| SCHEMBL27673631 | 0.74 | ALDH1A1 (0.35) | ALDH1A1HPGDTSHRCA12CA1 | |
| SCHEMBL8165282 | 0.74 | — | — | |
| SCHEMBL29093090 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HPGDTSHR | |
| SCHEMBL28201267 | 0.71 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHR | |
| SCHEMBL27565729 | 0.71 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHR |
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-115181042-B | Method for preparing di (alkoxythiocarbonyl) thioether compound and preparing cyanuric acid compound simultaneously and application thereof | 中南大学 | 2024-05-14 | — | — | CN | disclosed |