Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5135079 | 0.94 | C5AR1 (0.38) | BCHEHSD11B1F2C5AR1TSHR | |
| SCHEMBL5135365 | 0.91 | TSHR (0.37) | BCHEHSD11B1F2C5AR1TSHR | |
| SCHEMBL5075240 | 0.88 | F2 (0.37) | F2TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5075074 | 0.86 | TSHR (0.46) | BCHEHSD11B1TSHR | |
| SCHEMBL5135358 | 0.85 | HSD11B1 (0.42) | BCHEHSD11B1C5AR1TSHRPSMB5 | |
| SCHEMBL4764303 | 0.85 | C5AR1 (0.54) | C5AR1TSHR | |
| SCHEMBL5072355 | 0.85 | HSD11B1 (0.45) | BCHEHSD11B1C5AR1TSHR | |
| SCHEMBL5137926 | 0.84 | TSHR (0.41) | BCHEHSD11B1C5AR1TSHR | |
| SCHEMBL5134920 | 0.84 | HSD11B1 (0.44) | BCHEHSD11B1C5AR1TSHR | |
| SCHEMBL5135667 | 0.84 | HSD11B1 (0.44) | BCHEHSD11B1C5AR1TSHR |
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 |