Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7250815 | 0.89 | SLC6A4 (0.71) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL11175463 | 0.79 | OPRK1 (0.42) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL6604030 | 0.74 | CYP1A2 (0.62) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL5755490 | 0.74 | CYP1A2 (0.62) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10601133 | 0.74 | CYP1A2 (0.62) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL113896 | 0.74 | CYP1A2 (0.62) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8074161 | 0.74 | CYP1A2 (0.66) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL13039159 | 0.74 | CYP1A2 (0.66) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL8074159 | 0.74 | CYP1A2 (0.66) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL31010059 | 0.74 | CYP1A2 (0.66) | SLC6A4CYP1A2CYP2C19CYP3A4CYP2D6 |
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-1461306-A1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2004-09-29 | — | — | EP | disclosed |
| WO-2003035599-A1 | QUARTERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-05-01 | — | — | WO | disclosed |