Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128439 | 1.00 | CYP2B6 (0.50) | CYP2B6CHRM3CYP2D6CHRM2CHRM1 | |
| SCHEMBL7126061 | 0.85 | CYP2B6 (0.45) | CYP2B6CHRM3CYP2D6CHRM2CHRM1 | |
| SCHEMBL18112743 | 0.83 | CYP2B6 (0.41) | CYP2B6CHRM3CYP2D6CHRM2CHRM1 | |
| SCHEMBL327106 | 0.83 | CYP2B6 (0.45) | CYP2B6CHRM3CYP2D6CHRM2CHRM1 | |
| SCHEMBL703097 | 0.81 | CYP2B6 (0.44) | CYP2B6CHRM3CYP2D6CHRM2CHRM1 | |
| SCHEMBL4901870 | 0.79 | CYP2B6 (0.45) | CYP2B6CHRM3CYP2D6CHRM2CHRM1 | |
| SCHEMBL20487815 | 0.77 | CHRM3 (0.41) | CHRM3CHRM2CHRM1OPRM1KCNH2 | |
| SCHEMBL5816021 | 0.77 | CYP2B6 (0.43) | CYP2B6CHRM3CYP2D6CHRM2CHRM1 | |
| SCHEMBL7965625 | 0.75 | NPC1 (0.43) | CYP2B6CHRM3CYP2D6LMNAMAPK1 | |
| SCHEMBL3043721 | 0.75 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 |
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 |