Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 16/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.45 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5045531 | 0.87 | SLC6A9 (0.71) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5047631 | 0.84 | SLC6A9 (0.50) | SLC6A9KCNH2PARP14PARP10 | |
| SCHEMBL4429078 | 0.84 | SLC6A9 (0.77) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5041780 | 0.81 | SLC6A9 (0.63) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5047807 | 0.79 | SLC6A9 (0.58) | SLC6A9KCNH2SLC6A5PARP14PARP10 | |
| SCHEMBL5038209 | 0.78 | SLC6A9 (0.75) | SLC6A9KCNH2SLC6A5MEN1KMT2A | |
| SCHEMBL4425130 | 0.78 | SLC6A9 (0.72) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL5047569 | 0.78 | SLC6A9 (0.72) | SLC6A9KCNH2SLC6A5KMT2A | |
| SCHEMBL4430786 | 0.78 | SLC6A9 (0.80) | SLC6A9KCNH2SLC6A5 | |
| SCHEMBL4433605 | 0.76 | SLC6A9 (0.70) | 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 |