Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL606519 | 0.78 | EPHX1 (0.52) | ALDH1A1CYP2C19EPHX1GAAPKM | |
| SCHEMBL28224025 | 0.76 | EPHX1 (0.50) | ALDH1A1CYP2C19EPHX1GAAPKM | |
| SCHEMBL9347611 | 0.74 | EPHX1 (0.39) | ALDH1A1CYP2C19EPHX1GAAPKM | |
| SCHEMBL8404334 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP2C19EPHX1GAAPKM | |
| SCHEMBL20860680 | 0.73 | EPHX1 (0.38) | ALDH1A1CYP2C19EPHX1GAAPKM | |
| SCHEMBL19042198 | 0.71 | CA2 (0.49) | ALDH1A1EPHX1 | |
| SCHEMBL1070262 | 0.70 | CA2 (0.56) | — | |
| SCHEMBL2396424 | 0.69 | — | — | |
| SCHEMBL28375339 | 0.69 | CA2 (0.57) | — | |
| SCHEMBL1851655 | 0.69 | CA2 (0.57) | — |
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 |