Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL651094 | 0.95 | TSHR (0.50) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| SCHEMBL5135643 | 0.94 | C5AR1 (0.48) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| SCHEMBL5137312 | 0.94 | C5AR1 (0.48) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| SCHEMBL5134971 | 0.92 | C5AR1 (0.46) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| SCHEMBL5072228 | 0.92 | C5AR1 (0.46) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| SCHEMBL5138025 | 0.92 | C5AR1 (0.47) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| SCHEMBL5135922 | 0.92 | C5AR1 (0.49) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| SCHEMBL649161 | 0.92 | C5AR1 (0.47) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| SCHEMBL5135739 | 0.91 | C5AR1 (0.48) | TSHRC5AR1ALDH1A1KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL648480 | 0.91 | C5AR1 (0.46) | TSHRC5AR1ALDH1A1KDM4EHPGD |
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 |