Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | RORA | P35398 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | RORB | Q92753 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5137588 | 0.93 | TSHR (0.41) | TSHRC5AR1HSD11B1TP53BRD4 | |
| SCHEMBL5136205 | 0.91 | TSHR (0.39) | TSHRGRIN1GRIN2BC5AR1HSD11B1 | |
| SCHEMBL5136720 | 0.90 | TSHR (0.44) | TSHRC5AR1HSD11B1BRD4PDE4B | |
| SCHEMBL5137319 | 0.88 | TSHR (0.47) | TSHRC5AR1HSD11B1TP53PDE4B | |
| SCHEMBL5072278 | 0.88 | TSHR (0.51) | TSHRC5AR1HSD11B1PDE4BNR1H3 | |
| SCHEMBL5135653 | 0.88 | TSHR (0.37) | TSHRGRIN1GRIN2BC5AR1TP53 | |
| SCHEMBL5136082 | 0.88 | C5AR1 (0.54) | TSHRC5AR1TP53KDM4EHSD17B10 | |
| SCHEMBL5137098 | 0.88 | TSHR (0.44) | TSHRC5AR1HSD11B1TP53PDE4B | |
| SCHEMBL5136036 | 0.86 | TSHR (0.45) | TSHRC5AR1HSD11B1TP53PDE4B | |
| SCHEMBL5135313 | 0.85 | TSHR (0.40) | TSHRGRIN2BC5AR1HSD11B1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |