Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30912741 | 1.00 | NR1H4 (0.36) | NR1H4SLC10A2S1PR1S1PR3 | |
| SCHEMBL21589605 | 1.00 | NR1H4 (0.36) | NR1H4SLC10A2S1PR1S1PR3 | |
| SCHEMBL30912740 | 0.97 | NR1H4 (0.35) | NR1H4SLC10A2S1PR1S1PR3 | |
| SCHEMBL21589609 | 0.97 | NR1H4 (0.35) | NR1H4SLC10A2S1PR1S1PR3 | |
| SCHEMBL28538551 | 0.97 | NR1H4 (0.35) | NR1H4SLC10A2S1PR1S1PR3 | |
| SCHEMBL22476241 | 0.94 | NR1H4 (0.34) | NR1H4S1PR1S1PR3 | |
| SCHEMBL21589547 | 0.92 | NR1H4 (0.34) | NR1H4 | |
| SCHEMBL29462841 | 0.92 | NR1H4 (0.34) | NR1H4 | |
| SCHEMBL21589717 | 0.92 | SLC10A2 (0.41) | NR1H4SLC10A2 | |
| SCHEMBL21589690 | 0.92 | NR1H4 (0.37) | NR1H4SLC10A2 |
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 |