Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14571859 | 0.97 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4CA12CA1 | |
| SCHEMBL9945578 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TDP1 | |
| SCHEMBL637922 | 0.84 | — | — | |
| SCHEMBL28109510 | 0.84 | — | — | |
| SCHEMBL13286712 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TDP1 | |
| SCHEMBL28211141 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TDP1 | |
| SCHEMBL13575738 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL21703580 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL18915332 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TDP1CA12CA1CA2 | |
| SCHEMBL18572815 | 0.78 | ALDH1A1 (0.77) | ALDH1A1TDP1CYP3A4CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2316469-A1 | Delivery system and methods for protecting and administering dextroamphetamine | Shire LLC (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-2316468-A1 | Delivery system and methods for protecting and administering dextroamphetamine | Shire LLC (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-2266590-A2 | Active agent delivery sytems and methods for protecting and administering active agents | Shire LLC (US) | 2010-12-29 | — | — | EP | disclosed |