Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 4/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL5072388 | 0.93 | TSHR (0.41) | TSHRHSD11B1RORCC5AR1KDM4E | |
| SCHEMBL5212722 | 0.87 | AGTR1 (0.43) | RORCPTGESKDM4EALDH1A1AGTR1 | |
| SCHEMBL5135367 | 0.87 | C5AR1 (0.35) | TSHRC5AR1BCHE | |
| SCHEMBL5071535 | 0.86 | TSHR (0.45) | TSHRHSD11B1C5AR1KDM4EHSD17B10 | |
| SCHEMBL5212718 | 0.86 | AGTR1 (0.38) | TSHRRORCC5AR1LTB4R2PTGES | |
| SCHEMBL5135712 | 0.85 | MEN1 (0.40) | TSHRHSD11B1 | |
| SCHEMBL5136714 | 0.85 | KAT8 (0.36) | C5AR1LTB4R2PTGESBCHEAGTR1 | |
| SCHEMBL5135146 | 0.85 | C5AR1 (0.53) | TSHRC5AR1ALDH1A1 | |
| SCHEMBL5136016 | 0.85 | C5AR1 (0.53) | TSHRC5AR1ALDH1A1 | |
| SCHEMBL5137532 | 0.85 | TSHR (0.43) | TSHRHSD11B1RORCC5AR1KDM4E |
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 |