Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | OXTR | P30559 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL442532 | 0.88 | SCN5A (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL415547 | 0.86 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL413425 | 0.83 | SLC6A2 (0.61) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL413794 | 0.81 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL17707505 | 0.79 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL1691802 | 0.78 | SLC6A2 (0.70) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL443834 | 0.74 | OPRD1 (0.38) | SLC6A2SLC6A4SLC6A3HDAC6 | |
| SCHEMBL17707486 | 0.74 | GRIN2B (0.51) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL415331 | 0.73 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL17707503 | 0.72 | IP6K1 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6 |
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 |