Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTPRS | Q13332 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL769225 | 0.71 | — | — | |
| SCHEMBL276590 | 0.67 | — | — | |
| SCHEMBL28757601 | 0.65 | CYP2A6 (0.39) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL5324357 | 0.65 | ESR1 (0.43) | MAOBCYP3A4MAOA | |
| SCHEMBL4417646 | 0.64 | — | — | |
| SCHEMBL196071 | 0.64 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL9454247 | 0.64 | PTPRS (0.32) | PTPRSLPLLIPG | |
| SCHEMBL1439053 | 0.64 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1MAOBKCNH2 | |
| SCHEMBL27989815 | 0.63 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL17350220 | 0.62 | CYP2A6 (0.40) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1829721-A | Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor | ASTRAZENECA AB (SE) | 2006-09-06 | — | — | CN | claimed |
| CN-1829721-A | Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor | ASTRAZENECA AB (SE) | 2006-09-06 | — | — | CN | disclosed |