Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL443130 | 0.90 | GPR119 (0.31) | CYP2D6SLC6A2SLC6A4SLC6A3KDM2B | |
| SCHEMBL443798 | 0.78 | CNR2 (0.36) | KDM2B | |
| SCHEMBL440868 | 0.78 | CNR2 (0.34) | KDM2B | |
| SCHEMBL445011 | 0.72 | GPR119 (0.33) | — | |
| SCHEMBL442649 | 0.69 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL446236 | 0.66 | GPR119 (0.33) | — | |
| SCHEMBL444471 | 0.65 | — | — | |
| SCHEMBL443784 | 0.64 | CNR2 (0.35) | — | |
| SCHEMBL24339380 | 0.60 | SLC22A12 (0.43) | — | |
| SCHEMBL1692041 | 0.59 | CNR2 (0.34) | CYP2D6SLC6A2SLC6A4SLC6A3 |
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-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 |