Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 11/20 | 0.75 |
| ▸ | CCKBR | P32239 | 6/20 | 0.75 |
| ▸ | CCKAR | P32238 | 5/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565438 | 1.00 | SCN9A (0.75) | SCN9ACCKBRCCKARKCNH2 | |
| SCHEMBL9565445 | 1.00 | SCN9A (0.75) | SCN9ACCKBRCCKARKCNH2 | |
| SCHEMBL9565436 | 1.00 | SCN9A (0.75) | SCN9ACCKBRCCKARKCNH2 | |
| SCHEMBL9526582 | 0.85 | SCN9A (1.00) | SCN9ACCKBRCCKARKCNH2 | |
| SCHEMBL9526577 | 0.85 | SCN9A (1.00) | SCN9ACCKBRCCKARKCNH2 | |
| SCHEMBL9526573 | 0.85 | SCN9A (1.00) | SCN9ACCKBRCCKARKCNH2 | |
| SCHEMBL9651652 | 0.82 | SCN9A (0.70) | SCN9ACCKBRCCKAR | |
| SCHEMBL9652511 | 0.82 | SCN9A (0.70) | SCN9ACCKBRCCKAR | |
| SCHEMBL8422498 | 0.82 | SCN9A (0.78) | SCN9ACCKBRCCKARKCNH2 | |
| SCHEMBL9565461 | 0.81 | CCKBR (0.69) | SCN9ACCKBRCCKARKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523846-A2 | 1,4-Benzodiazepines with 5-membered heterocyclic rings | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| EP-0272866-A1 | 1,4-Benzodiazepines with 5-membered heterocyclic rings | MERCK & CO. INC. (US) | 1988-06-29 | — | — | EP | disclosed |