Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.30 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL22476218 | 1.00 | NR1H4 (0.33) | NR1H4GRM4ENPP3ENPP1ENPP2 | |
| SCHEMBL21586053 | 0.97 | NR1H4 (0.34) | NR1H4 | |
| SCHEMBL22476199 | 0.97 | NR1H4 (0.34) | NR1H4 | |
| SCHEMBL21585988 | 0.94 | NR1H4 (0.34) | NR1H4GRM4ENPP3ENPP1ENPP2 | |
| SCHEMBL21585987 | 0.94 | NR1H4 (0.34) | NR1H4GRM4ENPP3ENPP1ENPP2 | |
| SCHEMBL21586050 | 0.91 | NR1H4 (0.35) | NR1H4 | |
| SCHEMBL21586052 | 0.91 | NR1H4 (0.35) | NR1H4 | |
| SCHEMBL22476225 | 0.90 | NR1H4 (0.36) | NR1H4 | |
| SCHEMBL21585941 | 0.90 | NR1H4 (0.36) | NR1H4 | |
| SCHEMBL22476176 | 0.89 | NR1H4 (0.34) | NR1H4GRM4ENPP3ENPP1ENPP2 |
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-A1 | BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS | Albireo AB (SE) | 2021-04-14 | — | — | EP | disclosed |
| WO-2019234077-A1 | BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS | ALBIREO AB (SE) | 2019-12-12 | — | — | WO | disclosed |