Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 7/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | ARG1 | P05089 | 1/20 | 0.31 |
| ▸ | ARG2 | P78540 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7205517 | 1.00 | LSS (0.43) | LSSCHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL7204663 | 0.96 | LSS (0.44) | LSSCHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL7204665 | 0.96 | LSS (0.44) | LSSCHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL7210492 | 0.85 | LSS (0.35) | LSSCHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL7210491 | 0.85 | LSS (0.35) | LSSCHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL7208701 | 0.80 | LSS (0.55) | LSSARG1ARG2BCHEACHE | |
| SCHEMBL7208698 | 0.80 | LSS (0.55) | LSSARG1ARG2BCHEACHE | |
| SCHEMBL4807923 | 0.79 | LSS (0.44) | LSS | |
| SCHEMBL4807917 | 0.79 | LSS (0.44) | LSS | |
| SCHEMBL4805052 | 0.79 | LSS (0.73) | LSSBCHEACHEHRH3AURKA |
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-1311475-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |