Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 6/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29641135 | 1.00 | OPRK1 (0.48) | OPRK1KCNH2OPRM1PKMNPSR1 | |
| SCHEMBL21159397 | 1.00 | OPRK1 (0.48) | OPRK1KCNH2OPRM1PKMNPSR1 | |
| SCHEMBL29641090 | 1.00 | OPRK1 (0.48) | OPRK1KCNH2OPRM1PKMNPSR1 | |
| SCHEMBL15934617 | 1.00 | OPRK1 (0.48) | OPRK1KCNH2OPRM1PKMNPSR1 | |
| SCHEMBL6121340 | 0.87 | SLC6A4 (0.54) | OPRK1KCNH2ALDH1A1SLC6A4 | |
| SCHEMBL15405283 | 0.87 | SLC6A4 (0.54) | OPRK1KCNH2ALDH1A1SLC6A4 | |
| SCHEMBL29641206 | 0.87 | SLC6A4 (0.54) | OPRK1KCNH2ALDH1A1SLC6A4 | |
| SCHEMBL16765154 | 0.87 | SLC6A4 (0.54) | OPRK1KCNH2ALDH1A1SLC6A4 | |
| SCHEMBL4031829 | 0.87 | CYP3A4 (0.53) | ALDH1A1 | |
| SCHEMBL7744542 | 0.83 | ALDH1A1 (0.53) | OPRK1KCNH2OPRM1PKMNPSR1 |
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-111138361-B | Substituted phenoxy-2-azabicyclo [3.2.1] octane compounds and preparation method and application thereof | 中国医科大学 | 2022-05-06 | — | — | CN | claimed |
| CN-111138361-B | Substituted phenoxy-2-azabicyclo [3.2.1] octane compounds and preparation method and application thereof | 中国医科大学 | 2022-05-06 | — | — | CN | disclosed |