Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 20/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.62 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047810 | 0.93 | SLC6A9 (0.74) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5045147 | 0.87 | SLC6A9 (0.73) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL27648851 | 0.86 | SLC6A9 (0.70) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5037804 | 0.86 | SLC6A9 (0.68) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5043857 | 0.85 | SLC6A9 (0.86) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5037628 | 0.84 | SLC6A9 (0.88) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL4425950 | 0.84 | SLC6A9 (0.68) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5043507 | 0.84 | SLC6A9 (0.74) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL27669116 | 0.84 | SLC6A9 (0.86) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5041981 | 0.83 | SLC6A9 (0.87) | SLC6A9KCNH2SLC6A5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1867554-B | Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors | HOFFMANN LA ROCHE | 2011-07-06 | — | — | CN | disclosed |
| EP-1656361-B1 | PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |
| CN-1867554-A | Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors | HOFFMANN LA ROCHE (CH) | 2006-11-22 | — | — | CN | disclosed |