Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9181525 | 1.00 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL9628787 | 1.00 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL9181582 | 0.86 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL14274436 | 0.86 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL9181594 | 0.86 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL9181599 | 0.86 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL11046032 | 0.83 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL11046036 | 0.83 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8380296 | 0.83 | AHR (0.44) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8380293 | 0.83 | AHR (0.44) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 |
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 3 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 | 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 |