Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21589843 | 1.00 | NR1H4 (0.38) | NR1H4SLC10A2SMN1; SMN2NPC1TP53 | |
| SCHEMBL30912729 | 1.00 | NR1H4 (0.38) | NR1H4SLC10A2SMN1; SMN2NPC1TP53 | |
| SCHEMBL28533917 | 0.94 | NR1H4 (0.36) | NR1H4SLC10A2SMN1; SMN2NPC1TP53 | |
| SCHEMBL22476198 | 0.94 | NR1H4 (0.36) | NR1H4SLC10A2SMN1; SMN2NPC1TP53 | |
| SCHEMBL21589792 | 0.92 | NR1H4 (0.35) | NR1H4SLC10A2SMN1; SMN2NPC1TP53 | |
| SCHEMBL30912769 | 0.92 | NR1H4 (0.37) | NR1H4SLC10A2NPC1RAB9A | |
| SCHEMBL28542372 | 0.92 | NR1H4 (0.37) | NR1H4SLC10A2NPC1RAB9A | |
| SCHEMBL21589690 | 0.92 | NR1H4 (0.37) | NR1H4SLC10A2NPC1RAB9A | |
| SCHEMBL29462776 | 0.92 | NR1H4 (0.35) | NR1H4SLC10A2SMN1; SMN2NPC1TP53 | |
| SCHEMBL21589732 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112449637-B | Benzothiazepine compounds and their use as bile acid modulators | 阿尔比里奥公司 | 2024-03-19 | — | — | CN | disclosed |
| 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 |