Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 13/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 2/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.37 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.37 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.37 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.37 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3251116 | 1.00 | HRH3 (0.51) | HRH3CYP2D6SCN9ACCR6PRKAB2 | |
| SCHEMBL3251114 | 1.00 | HRH3 (0.51) | HRH3CYP2D6SCN9ACCR6PRKAB2 | |
| SCHEMBL3249393 | 0.91 | HRH3 (0.53) | HRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL3249265 | 0.91 | HRH3 (0.53) | HRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL3249398 | 0.91 | HRH3 (0.53) | HRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL3249268 | 0.91 | HRH3 (0.53) | HRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL3243454 | 0.90 | HRH3 (0.54) | HRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL3264322 | 0.90 | HRH3 (0.54) | HRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL3243452 | 0.90 | HRH3 (0.54) | HRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL3245882 | 0.88 | HRH3 (0.53) | HRH3CYP2D6LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118089-B1 | INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-05-12 | — | — | EP | disclosed |