Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC10A2 | Q12908 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19279280 | 0.88 | DRD2 (0.33) | ALDH1A1NPSR1GPR55DRD2DRD3 | |
| SCHEMBL21586028 | 0.88 | DRD2 (0.33) | ALDH1A1NPSR1GPR55DRD2DRD3 | |
| SCHEMBL22286597 | 0.88 | DRD2 (0.33) | ALDH1A1NPSR1GPR55DRD2DRD3 | |
| SCHEMBL8769102 | 0.87 | ALDH1A1 (0.36) | SLC10A2ALDH1A1NPSR1GPR55DRD2 | |
| SCHEMBL21589449 | 0.86 | OPRM1 (0.33) | ALDH1A1NPSR1GPR55DRD2DRD3 | |
| SCHEMBL21589478 | 0.85 | KDM4E (0.34) | ALDH1A1NPSR1POLBALOX15TSHR | |
| SCHEMBL23481391 | 0.85 | AR (0.37) | ALDH1A1NPSR1GPR55DRD2DRD3 | |
| SCHEMBL21589578 | 0.84 | SLC10A2 (0.36) | SLC10A2ALDH1A1NPSR1GPR55DRD2 | |
| SCHEMBL26986255 | 0.84 | FGFR1 (0.36) | SLC10A2ALDH1A1NPSR1GPR55DRD2 | |
| SCHEMBL21585970 | 0.84 | DRD2 (0.32) | SLC10A2ALDH1A1NPSR1GPR55DRD2 |
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 |