Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12247392 | 0.78 | ALDH1A1 (0.53) | ALDH1A1 | |
| SCHEMBL12247390 | 0.78 | ALDH1A1 (0.53) | ALDH1A1 | |
| SCHEMBL37987 | 0.77 | ALDH1A1 (1.00) | ALDH1A1 | |
| SCHEMBL2019419 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP2C19PIK3CD | |
| SCHEMBL2746192 | 0.75 | RIPK1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL28802926 | 0.73 | ALDH1A1 (0.91) | ALDH1A1 | |
| SCHEMBL2151614 | 0.73 | — | — | |
| SCHEMBL23880596 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP2C19PIK3CD | |
| SCHEMBL20341176 | 0.71 | GRM4 (0.33) | — | |
| SCHEMBL9253938 | 0.71 | ALDH1A1 (0.59) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2011010682-A1 | STEROL DERIVATIVE | 協和発酵キリン株式会社 (JP) | 2011-01-27 | — | — | WO | disclosed |