Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL21629318 | 0.78 | CA3 (0.31) | — | |
| SCHEMBL15226205 | 0.73 | CETP (0.38) | CETP | |
| SCHEMBL1810926 | 0.72 | RELA (0.34) | — | |
| SCHEMBL13104023 | 0.72 | ALDH1A1 (0.41) | ALDH1A1GAAPKM | |
| SCHEMBL1661515 | 0.71 | EPHX1 (0.33) | ALDH1A1CETP | |
| SCHEMBL606519 | 0.71 | EPHX1 (0.52) | ALDH1A1CYP2C19GAAPKM | |
| Monoethanolamine SCHEMBL21629309 | 0.71 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL16190192 | 0.71 | — | — | |
| SCHEMBL27398548 | 0.71 | ATR (0.40) | ATRALDH1A1GAAPKM | |
| SCHEMBL4323234 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979509-B | Trifluoromethanesulfonyl alkynamide compound and preparation method and application thereof | 江西师范大学 | 2022-04-22 | — | — | CN | disclosed |
| CN-112979509-A | Trifluoromethanesulfonyl alkynamide compound and preparation method and application thereof | 江西师范大学 | 2021-06-18 | — | — | CN | disclosed |