Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL6958800 | 0.77 | — | — | |
| SCHEMBL6202621 | 0.73 | IDO1 (0.47) | IDO1TDO2ALOX5 | |
| Hydrochloric Acid SCHEMBL7227781 | 0.71 | IDO1 (0.50) | IDO1TDO2ALOX5 | |
| Hydrochloric Acid SCHEMBL27479930 | 0.68 | IDO1 (0.39) | IDO1TDO2 | |
| SCHEMBL5104539 | 0.67 | ALOX5 (0.42) | IDO1TDO2ALOX5CYP2A6L3MBTL1 | |
| SCHEMBL1492046 | 0.67 | — | — | |
| SCHEMBL7827555 | 0.67 | — | — | |
| SCHEMBL9563242 | 0.67 | IDO1 (0.41) | IDO1TDO2ALOX5CYP2A6L3MBTL1 | |
| SCHEMBL31556324 | 0.67 | CYP3A4 (0.44) | IDO1TDO2ALOX5CYP2A6L3MBTL1 | |
| SCHEMBL7822870 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1438309-A1 | QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS | UCB, S.A. (BE) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003033495-A1 | QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS | UCB, S.A. (BE) | 2003-04-24 | — | — | WO | disclosed |