Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | LSS | P48449 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7203923 | 0.92 | CNR2 (0.47) | CA1CA2CNR2ALDH1A1HTT | |
| SCHEMBL7205305 | 0.90 | HPGD (0.47) | CA1CA2CNR2ALDH1A1HTT | |
| SCHEMBL5067515 | 0.85 | LSS (0.54) | ALDH1A1LSSSMN1; SMN2MAPK1 | |
| SCHEMBL7203919 | 0.81 | LSS (0.51) | ALDH1A1GAALSS | |
| SCHEMBL7203921 | 0.81 | LSS (0.51) | ALDH1A1GAALSS | |
| SCHEMBL7204703 | 0.81 | CNR2 (0.53) | CA1CA2CNR2ALDH1A1CYP19A1 | |
| SCHEMBL7209474 | 0.80 | LSS (0.41) | TSHRHTTLSSSMN1; SMN2MAPK1 | |
| SCHEMBL7209472 | 0.80 | LSS (0.41) | TSHRHTTLSSSMN1; SMN2MAPK1 | |
| SCHEMBL7205051 | 0.80 | LSS (0.46) | CNR2ALDH1A1HTTLMNALSS | |
| SCHEMBL7205298 | 0.79 | LSS (0.51) | ALDH1A1LSS |
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 |