Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 17/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2127676 | 1.00 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL3043721 | 1.00 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL2126740 | 1.00 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL7592805 | 0.98 | CHRM3 (0.57) | CYP2B6CHRM3 | |
| SCHEMBL4738180 | 0.88 | CYP2B6 (0.58) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL6266546 | 0.86 | CYP2B6 (0.56) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL26698239 | 0.84 | CHRM3 (0.55) | CHRM3 | |
| SCHEMBL2127682 | 0.83 | CHRM3 (0.61) | CYP2B6CHRM3 | |
| SCHEMBL1682974 | 0.83 | CHRM3 (0.61) | CYP2B6CHRM3 | |
| SCHEMBL2126929 | 0.83 | CHRM3 (0.61) | CYP2B6CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101610813-A | Quinuclidinol derivatives as muscarinic receptor antagonist | ASTRAZENECA AB (SE) | 2009-12-23 | — | — | CN | disclosed |
| EP-2121137-A1 | QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008075005-A1 | QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | WO | disclosed |