Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 4/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL4422297 | 0.84 | HTR6 (0.44) | SLC6A9MAPTLMNAGAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL4622286 | 0.83 | HTR6 (0.43) | SLC6A9MAPTLMNAGAAALDH1A1 | |
| SCHEMBL5047837 | 0.81 | SLC6A9 (0.49) | SLC6A9MAPTLMNAGAAALDH1A1 | |
| SCHEMBL4433369 | 0.80 | LMNA (0.43) | SLC6A9MAPTLMNAGAAALDH1A1 | |
| SCHEMBL4420084 | 0.80 | PNMT (0.46) | SLC6A9CNR2MAPTLMNAGAA | |
| SCHEMBL4573165 | 0.79 | ALDH1A1 (0.59) | CNR2LMNAALDH1A1HTR6KDM4E | |
| SCHEMBL5043297 | 0.79 | PNMT (0.45) | SLC6A9MAPTLMNAGAAALDH1A1 | |
| SCHEMBL2573793 | 0.78 | SLC6A9 (0.55) | SLC6A9MAPTLMNAGAAALDH1A1 | |
| SCHEMBL3923062 | 0.78 | ALDH1A1 (0.58) | SLC6A9MAPTLMNAGAAALDH1A1 | |
| SCHEMBL5045465 | 0.78 | HTR6 (0.44) | MAPTHTR6 |
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 |