Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL12677246 | 0.92 | ALDH1A1 (0.35) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL1703326 | 0.82 | ALDH1A1 (0.32) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL13575738 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL13105921 | 0.79 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL799853 | 0.79 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL12262046 | 0.79 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL12262041 | 0.78 | — | — | |
| SCHEMBL5961264 | 0.78 | — | — | |
| SCHEMBL5608034 | 0.75 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL13234893 | 0.75 | ALDH1A1 (0.35) | ALDH1A1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2316468-A1 | Delivery system and methods for protecting and administering dextroamphetamine | Shire LLC (US) | 2011-05-04 | — | — | EP | disclosed |