Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2127690 | 1.00 | CYP2B6 (0.45) | CYP2B6CHRM3ALDH1A1GAAPOLB | |
| SCHEMBL327105 | 0.82 | CYP2B6 (0.42) | CYP2B6CHRM3ALDH1A1GAANPSR1 | |
| SCHEMBL2126740 | 0.80 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL2127676 | 0.80 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL4444477 | 0.80 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL3043721 | 0.80 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL7592805 | 0.78 | CHRM3 (0.57) | CYP2B6CHRM3GAA | |
| SCHEMBL14354526 | 0.77 | CYP2B6 (0.46) | CYP2B6CHRM3ALDH1A1POLBNPSR1 | |
| SCHEMBL2494378 | 0.74 | CYP2B6 (0.46) | CYP2B6ALDH1A1GAAPOLBNPSR1 | |
| SCHEMBL2125963 | 0.73 | CHRM3 (0.52) | CHRM3ALDH1A1POLBKDM4E |
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-2121137-B1 | QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2012-04-25 | — | — | EP | disclosed |