Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.32 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 4/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.32 |
| ▸ | GABRE | P78334 | 2/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.32 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.32 |
| ▸ | GABRG3 | Q99928 | 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 | |
|---|---|---|---|---|
| SCHEMBL21550003 | 1.00 | ALDH2 (0.34) | ALDH2ITGB1ITGA4ITGB7BRD4 | |
| SCHEMBL21564957 | 0.86 | ALDH2 (0.36) | ALDH2ITGB1ITGA4ITGB7BRD4 | |
| SCHEMBL21564816 | 0.85 | ALDH2 (0.35) | ALDH2ITGB1ITGA4ITGB7BRD4 | |
| SCHEMBL21550035 | 0.84 | ALDH2 (0.31) | ALDH2ITGB1ITGA4ITGB7 | |
| SCHEMBL21550036 | 0.84 | ALDH2 (0.31) | ALDH2ITGB1ITGA4ITGB7 | |
| SCHEMBL21550034 | 0.84 | ALDH2 (0.31) | ALDH2ITGB1ITGA4ITGB7 | |
| SCHEMBL21549998 | 0.78 | BRD4 (0.35) | BRD4BAZ2BBAZ2A | |
| SCHEMBL21362394 | 0.74 | BRD4 (0.39) | BRD4 | |
| SCHEMBL20158173 | 0.73 | BAZ2B (0.33) | BRD4BAZ2BBAZ2A | |
| SCHEMBL21557839 | 0.73 | CYP2C9 (0.40) | ALDH2BRD4BAZ2BBAZ2APKM |
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-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |