Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | ATP4A | P20648 | 3/20 | 0.38 |
| ▸ | ATP4B | P51164 | 3/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137594 | 0.97 | C5AR1 (0.42) | DRD2DRD3C5AR1PPARGPPARA | |
| SCHEMBL5135090 | 0.95 | DRD2 (0.41) | DRD2DRD3C5AR1PPARGPPARA | |
| SCHEMBL647827 | 0.93 | C5AR1 (0.41) | DRD2DRD3C5AR1PPARGPPARA | |
| SCHEMBL5135299 | 0.92 | DRD2 (0.42) | DRD2DRD3C5AR1PPARGPPARA | |
| SCHEMBL5134916 | 0.91 | BCHE (0.40) | DRD2DRD3C5AR1PPARGPPARA | |
| SCHEMBL5136734 | 0.91 | LTB4R2 (0.40) | DRD2DRD3C5AR1PPARGPPARA | |
| SCHEMBL5136823 | 0.90 | C5AR1 (0.42) | DRD2DRD3C5AR1PPARGPPARA | |
| SCHEMBL5137557 | 0.90 | C5AR1 (0.42) | DRD2DRD3C5AR1KCNH2MAPT | |
| SCHEMBL5134718 | 0.90 | C5AR1 (0.43) | C5AR1 | |
| SCHEMBL5135713 | 0.89 | C5AR1 (0.44) | C5AR1 |
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 |