Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 12/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4565038 | 0.92 | SCN9A (0.35) | SCN9ASCN10AXIAPKCNH2AADAT | |
| Hydrochloric Acid SCHEMBL4565037 | 0.91 | SCN9A (0.34) | SCN9ASCN10AXIAPKCNH2AADAT | |
| Hydrochloric Acid SCHEMBL4992340 | 0.91 | SCN9A (0.34) | SCN9ASCN10AXIAPKCNH2AADAT | |
| SCHEMBL4434484 | 0.85 | SCN9A (0.38) | SCN9ASCN10AKCNH2 | |
| Hydrochloric Acid SCHEMBL4434476 | 0.84 | SCN9A (0.38) | SCN9ASCN10AKCNH2 | |
| Hydrochloric Acid SCHEMBL4434487 | 0.84 | SCN9A (0.38) | SCN9ASCN10AKCNH2 | |
| SCHEMBL4434152 | 0.83 | NOTUM (0.42) | SCN9ASCN10AXIAPKCNH2 | |
| Hydrochloric Acid SCHEMBL4429066 | 0.82 | NOTUM (0.41) | SCN9ASCN10AXIAPKCNH2 | |
| Hydrochloric Acid SCHEMBL4429072 | 0.82 | NOTUM (0.41) | SCN9ASCN10AXIAPKCNH2 | |
| SCHEMBL4992925 | 0.78 | NR1H2 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008034735-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | disclosed |