Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.34 |
| ▸ | GNRHR | P30968 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL5633347 | 0.94 | C5AR1 (0.40) | C5AR1HDAC1NR1H3PTGDR2GNRHR | |
| SCHEMBL648873 | 0.91 | MC4R (0.37) | C5AR1MC4RHDAC1NR1H3PARP1 | |
| SCHEMBL1913052 | 0.89 | C5AR1 (0.37) | C5AR1MC4RHDAC1NR1H3GNRHR | |
| SCHEMBL651825 | 0.87 | C5AR1 (0.39) | C5AR1HDAC1NR1H3ATMTDP1 | |
| SCHEMBL5633847 | 0.87 | C5AR1 (0.53) | C5AR1GNRHRTDP1PPARG | |
| SCHEMBL5225249 | 0.86 | C5AR1 (0.38) | C5AR1HDAC1PTGDR2GNRHRCNR2 | |
| SCHEMBL650787 | 0.85 | C5AR1 (0.41) | C5AR1HDAC1TDP1PPARG | |
| SCHEMBL648586 | 0.84 | C5AR1 (0.39) | C5AR1TSPOPARP1PPARGBCHE | |
| SCHEMBL5218884 | 0.84 | NR1H3 (0.38) | C5AR1MC4RHDAC1NR1H3TSPO | |
| SCHEMBL651426 | 0.83 | C5AR1 (0.38) | C5AR1HDAC1PARP1PPARG |
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 |