Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31069404 | 0.92 | CYP3A4 (0.48) | CYP3A4CACNA1GCACNA1H | |
| SCHEMBL31069457 | 0.88 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL31069343 | 0.87 | CYP3A4 (0.34) | CYP3A4CACNA1GCACNA1H | |
| SCHEMBL31069330 | 0.84 | CYP3A4 (0.36) | CYP3A4 | |
| SCHEMBL31069365 | 0.84 | CYP3A4 (0.36) | CYP3A4 | |
| SCHEMBL31069426 | 0.83 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL31069322 | 0.83 | CACNA1G (0.40) | CYP3A4CACNA1GCACNA1H | |
| SCHEMBL31069377 | 0.82 | CYP3A4 (0.39) | CYP3A4CACNA1GCACNA1H | |
| SCHEMBL31069305 | 0.81 | CYP3A4 (0.41) | CYP3A4CACNA1GCACNA1H | |
| SCHEMBL31069408 | 0.80 | CYP3A4 (0.38) | CYP3A4CACNA1GCACNA1H |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | claimed |
| WO-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | disclosed |