Predicted protein targets (top 4)
| 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL4297604 | 0.95 | CYP2D6 (0.34) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4290513 | 0.89 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3603396 | 0.83 | TAAR1 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3601268 | 0.82 | TAAR1 (0.36) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3601527 | 0.81 | TAAR1 (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2415899 | 0.78 | CYP2D6 (0.36) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2325661 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL2328184 | 0.74 | KCNH2 (0.31) | — | |
| SCHEMBL22124317 | 0.71 | CA1 (0.31) | — | |
| SCHEMBL6781628 | 0.70 | CYP2D6 (0.38) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2287161-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |