Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 11/20 | 0.39 |
| ▸ | XIAP | P98170 | 9/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14093717 | 1.00 | SCN9A (0.39) | SCN9AXIAPCYP3A4SCN10A | |
| SCHEMBL14093728 | 0.93 | PSEN1 (0.40) | SCN9AXIAPCYP3A4SCN10A | |
| SCHEMBL14093721 | 0.92 | XIAP (0.36) | SCN9AXIAPCYP3A4 | |
| SCHEMBL8214145 | 0.92 | XIAP (0.36) | SCN9AXIAPCYP3A4 | |
| SCHEMBL8212213 | 0.89 | SCN9A (0.33) | SCN9AXIAP | |
| SCHEMBL8209811 | 0.89 | SCN9A (0.41) | SCN9AXIAPCYP3A4SCN10A | |
| SCHEMBL8207421 | 0.87 | XIAP (0.38) | SCN9AXIAPCYP3A4SCN10A | |
| SCHEMBL8208458 | 0.85 | XIAP (0.36) | XIAPCYP3A4 | |
| SCHEMBL14093725 | 0.84 | XIAP (0.35) | XIAPCYP3A4 | |
| SCHEMBL8207647 | 0.84 | XIAP (0.35) | XIAPCYP3A4 |
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 |