Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL441688 | 0.86 | SLC6A2 (0.44) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL414356 | 0.83 | SLC6A4 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL17707473 | 0.79 | SLC6A4 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL1691586 | 0.75 | CYP2D6 (0.34) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL415031 | 0.71 | SLC6A2 (0.72) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL447195 | 0.71 | SLC6A4 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL415086 | 0.71 | CYP2D6 (0.68) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL415315 | 0.70 | SLC6A2 (0.69) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL17707483 | 0.70 | CYP2D6 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL415108 | 0.69 | CYP2D6 (0.79) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 |
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-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | EP | disclosed |
| EP-2297096-A2 | ARYL KETONE AS MRI | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009153178-A2 | ARYL KETONE AS MRI | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |