Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9181594 | 1.00 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL14274436 | 1.00 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL9181599 | 1.00 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL9135342 | 0.92 | OPRL1 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8518707 | 0.87 | OPRL1 (0.36) | SLC6A2SLC6A4SLC6A3HSD11B1 | |
| SCHEMBL6461351 | 0.87 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8518711 | 0.87 | OPRL1 (0.36) | SLC6A2SLC6A4SLC6A3HSD11B1 | |
| SCHEMBL8518709 | 0.87 | OPRL1 (0.36) | SLC6A2SLC6A4SLC6A3HSD11B1 | |
| SCHEMBL6461349 | 0.87 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9628787 | 0.86 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458176-B1 | Bicyclohexyl derivatives | HOFFMANN LA ROCHE (CH) | 1995-08-02 | — | — | EP | claimed |
| EP-0458176-B1 | Bicyclohexyl derivatives | HOFFMANN LA ROCHE (CH) | 1995-08-02 | — | — | EP | disclosed |
| US-5174921-A | BICYCLOHEXYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0458176-A1 | Bicyclohexyl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-11-27 | — | — | EP | disclosed |