Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136067 | 0.93 | KDM4E (0.41) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL4766354 | 0.92 | C5AR1 (0.41) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL5134866 | 0.91 | TSHR (0.42) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL651094 | 0.90 | TSHR (0.50) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL5135238 | 0.90 | C5AR1 (0.45) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL5135825 | 0.89 | C5AR1 (0.47) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL5135975 | 0.88 | KDM4E (0.48) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL5136698 | 0.88 | ALDH1A1 (0.39) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL5137113 | 0.87 | TSHR (0.39) | C5AR1TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL5135922 | 0.87 | C5AR1 (0.49) | C5AR1TSHRKDM4EALDH1A1HPGD |
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 |