Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL21589448 | 0.97 | NR1H4 (0.34) | NR1H4NPC1RAB9A | |
| SCHEMBL24940638 | 0.94 | NPC1 (0.33) | NPC1RAB9A | |
| SCHEMBL21589499 | 0.93 | — | — | |
| SCHEMBL21589558 | 0.93 | NPC1 (0.30) | NPC1RAB9A | |
| SCHEMBL21589696 | 0.92 | NR1H4 (0.35) | NR1H4 | |
| SCHEMBL21589800 | 0.92 | NR1H4 (0.35) | NR1H4 | |
| SCHEMBL21589543 | 0.91 | — | — | |
| SCHEMBL21589528 | 0.91 | NPC1 (0.33) | NPC1RAB9A | |
| SCHEMBL21589786 | 0.91 | MAPT (0.32) | — | |
| SCHEMBL21589535 | 0.90 | NPC1 (0.31) | NPC1RAB9A |
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 |