Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 5/20 | 0.39 |
| ▸ | BRD2 | P25440 | 2/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 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 | |
|---|---|---|---|---|
| SCHEMBL20545137 | 1.00 | CHRM1 (0.42) | CHRM1CYP1A2BRD4BRD2BRD3 | |
| SCHEMBL20473291 | 1.00 | CHRM1 (0.42) | CHRM1CYP1A2BRD4BRD2BRD3 | |
| SCHEMBL19006662 | 0.90 | GABRA1 (0.42) | BRD4 | |
| SCHEMBL19006536 | 0.90 | GABRA1 (0.42) | BRD4 | |
| SCHEMBL13862666 | 0.84 | BRD4 (0.42) | BRD4 | |
| SCHEMBL20473330 | 0.83 | BRD4 (0.41) | CHRM1CYP1A2BRD4BRD2BRD3 | |
| SCHEMBL19006556 | 0.83 | BRD4 (0.41) | CHRM1CYP1A2BRD4BRD2BRD3 | |
| SCHEMBL20473301 | 0.83 | BRD4 (0.41) | CHRM1CYP1A2BRD4BRD2BRD3 | |
| SCHEMBL5772396 | 0.81 | GABRA1 (0.43) | CHRM1CYP1A2 | |
| SCHEMBL20473297 | 0.78 | BRD4 (0.41) | CYP1A2BRD4BRD2BRD3 |
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-2017101808-A1 | SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |