Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 18/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.63 |
| ▸ | SLC6A5 | Q9Y345 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047564 | 0.88 | SLC6A9 (0.52) | SLC6A9KCNH2SLC6A5CYP3A4CYP2C9 | |
| SCHEMBL5038209 | 0.88 | SLC6A9 (0.75) | SLC6A9KCNH2SLC6A5ALDH1A1MAPT | |
| SCHEMBL5045531 | 0.87 | SLC6A9 (0.71) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5044043 | 0.84 | SLC6A9 (0.79) | SLC6A9KCNH2 | |
| SCHEMBL5041433 | 0.84 | SLC6A9 (0.73) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL4433138 | 0.84 | SLC6A9 (0.87) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL4433342 | 0.83 | SLC6A9 (0.73) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5037700 | 0.81 | SLC6A9 (0.54) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL4425130 | 0.78 | SLC6A9 (0.72) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5047569 | 0.78 | SLC6A9 (0.72) | SLC6A9KCNH2SLC6A5ALDH1A1MAPT |
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 |