Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | CCR4 | P51679 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL5135938 | 0.94 | C5AR1 (0.41) | C5AR1P2RX7CCR4BCHEACHE | |
| SCHEMBL5136106 | 0.92 | C5AR1 (0.41) | C5AR1P2RX7CCR4BCHEACHE | |
| SCHEMBL651851 | 0.91 | C5AR1 (0.40) | C5AR1P2RX7CCR4BCHEACHE | |
| SCHEMBL649769 | 0.91 | C5AR1 (0.40) | C5AR1CCR4BCHEACHEHDAC1 | |
| SCHEMBL5137114 | 0.89 | C5AR1 (0.43) | C5AR1P2RX7BCHEHDAC1TSHR | |
| SCHEMBL650740 | 0.88 | C5AR1 (0.39) | C5AR1P2RX7CCR4BCHEACHE | |
| SCHEMBL5135166 | 0.88 | C5AR1 (0.45) | C5AR1P2RX7CCR4BCHEACHE | |
| SCHEMBL650474 | 0.88 | C5AR1 (0.42) | C5AR1P2RX7CCR4BCHEACHE | |
| SCHEMBL651501 | 0.87 | C5AR1 (0.44) | C5AR1HDAC1TSHRCRHR1KDM4E | |
| SCHEMBL5137556 | 0.87 | C5AR1 (0.40) | C5AR1CCR4BCHEACHEHDAC1 |
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 |