Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CCR4 | P51679 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | BCHE | P06276 | 4/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5135330 | 0.92 | C5AR1 (0.43) | C5AR1HDAC1TSHRCCR4ALDH1A1 | |
| SCHEMBL5136466 | 0.91 | C5AR1 (0.42) | C5AR1HDAC1TSHRCCR4ALDH1A1 | |
| SCHEMBL651501 | 0.90 | C5AR1 (0.44) | C5AR1HDAC1TSHRALDH1A1KDM4E | |
| SCHEMBL5134718 | 0.89 | C5AR1 (0.43) | C5AR1HDAC1TSHRALDH1A1KDM4E | |
| SCHEMBL5136106 | 0.89 | C5AR1 (0.41) | C5AR1HDAC1TSHRCCR4ALDH1A1 | |
| SCHEMBL5135152 | 0.89 | C5AR1 (0.41) | C5AR1HDAC1TSHRCCR4ALDH1A1 | |
| SCHEMBL5137310 | 0.89 | C5AR1 (0.41) | C5AR1HDAC1TSHRCCR4ALDH1A1 | |
| SCHEMBL5137864 | 0.88 | C5AR1 (0.44) | C5AR1HDAC1TSHRALDH1A1KDM4E | |
| SCHEMBL5137300 | 0.88 | CCR4 (0.49) | C5AR1HDAC1TSHRCCR4ALDH1A1 | |
| SCHEMBL5137556 | 0.88 | C5AR1 (0.40) | C5AR1HDAC1TSHRCCR4ALDH1A1 |
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 |