Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL21589612 | 0.97 | S1PR1 (0.33) | S1PR1S1PR3 | |
| SCHEMBL21589720 | 0.91 | SLC10A2 (0.34) | NR1H4 | |
| SCHEMBL21589839 | 0.90 | NR1H4 (0.32) | NR1H4 | |
| SCHEMBL24940621 | 0.89 | RAB9A (0.39) | NR1H4MAPT | |
| SCHEMBL21589718 | 0.88 | NR1H4 (0.36) | NR1H4 | |
| SCHEMBL21589750 | 0.87 | NR1H4 (0.31) | NR1H4 | |
| SCHEMBL21589721 | 0.87 | NR1H4 (0.30) | NR1H4 | |
| SCHEMBL21589605 | 0.86 | NR1H4 (0.36) | S1PR1S1PR3NR1H4 | |
| SCHEMBL30912741 | 0.86 | NR1H4 (0.36) | S1PR1S1PR3NR1H4 | |
| SCHEMBL28523908 | 0.86 | NR1H4 (0.36) | S1PR1S1PR3NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3802504-B1 | BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS | ALBIREO AB (SE) | 2023-01-18 | — | — | EP | disclosed |
| WO-2019234077-A1 | BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS | ALBIREO AB (SE) | 2019-12-12 | — | — | WO | disclosed |