Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 5/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5135031 | 0.91 | C5AR1 (0.54) | C5AR1HDAC8HDAC1HDAC2HDAC3 | |
| SCHEMBL5135156 | 0.90 | C5AR1 (0.53) | C5AR1HDAC8HDAC1HDAC2HDAC3 | |
| SCHEMBL5136309 | 0.90 | C5AR1 (0.55) | C5AR1HDAC8HDAC1HDAC2HDAC3 | |
| SCHEMBL5136857 | 0.90 | C5AR1 (0.51) | C5AR1HDAC8HDAC1HDAC2HDAC3 | |
| SCHEMBL5071903 | 0.90 | C5AR1 (0.53) | C5AR1HDAC8HDAC1HDAC2HDAC3 | |
| SCHEMBL5136532 | 0.89 | C5AR1 (0.52) | C5AR1HDAC8HDAC1HDAC2HDAC3 | |
| SCHEMBL5136936 | 0.88 | C5AR1 (0.53) | C5AR1HDAC8HDAC1OPRM1 | |
| SCHEMBL5135198 | 0.88 | HDAC8 (0.55) | HDAC8HDAC1HDAC2HDAC3NCOR2 | |
| SCHEMBL5134764 | 0.87 | C5AR1 (0.48) | C5AR1HDAC8HDAC1HDAC2HDAC3 | |
| SCHEMBL5136013 | 0.86 | C5AR1 (0.56) | C5AR1HDAC8HDAC1HDAC2HDAC3 |
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 |