Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL9609517 | 0.79 | CES2 (0.41) | CES2CES1HSD11B1NAAA | |
| SCHEMBL10891915 | 0.76 | CES2 (0.35) | CES2CES1 | |
| SCHEMBL4866559 | 0.75 | CES2 (0.41) | CES2CES1HSD11B1NAAA | |
| SCHEMBL4866555 | 0.75 | CES2 (0.41) | CES2CES1HSD11B1NAAA | |
| SCHEMBL8464246 | 0.70 | CES2 (0.38) | CES2CES1HSD11B1NAAA | |
| SCHEMBL4866423 | 0.70 | CES2 (0.33) | CES2CES1HSD11B1NAAA | |
| SCHEMBL12345218 | 0.70 | — | — | |
| SCHEMBL4866431 | 0.70 | CES2 (0.33) | CES2CES1HSD11B1NAAA | |
| SCHEMBL4866439 | 0.70 | CES2 (0.33) | CES2CES1HSD11B1NAAA | |
| SCHEMBL1269842 | 0.69 | ALDH1A1 (0.30) | — |
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-2543437-A2 | HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST | Takasago International Corporation (JP) | 2013-01-09 | — | — | EP | disclosed |