Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22476282 | 1.00 | NR1H4 (0.35) | NR1H4CA2CA5ACA9 | |
| SCHEMBL28531367 | 0.97 | NR1H4 (0.35) | NR1H4CA2CA5ACA9 | |
| SCHEMBL22476246 | 0.97 | NR1H4 (0.35) | NR1H4CA2CA5ACA9 | |
| SCHEMBL22476280 | 0.93 | NR1H4 (0.34) | NR1H4CA2CA5ACA9 | |
| SCHEMBL28530342 | 0.93 | NR1H4 (0.34) | NR1H4CA2CA5ACA9 | |
| SCHEMBL29462854 | 0.92 | MAPT (0.33) | NR1H4 | |
| SCHEMBL22502860 | 0.92 | MAPT (0.33) | NR1H4 | |
| SCHEMBL28527722 | 0.90 | NR1H4 (0.36) | NR1H4 | |
| SCHEMBL22476267 | 0.90 | NR1H4 (0.36) | NR1H4 | |
| SCHEMBL21586024 | 0.90 | NR1H4 (0.41) | NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112449637-A | Benzothia (di) azepanes and their use as bile acid modulators | 阿尔比里奥公司 | 2021-03-05 | — | — | CN | disclosed |