Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ATP4A | P20648 | 4/20 | 0.42 |
| ▸ | ATP4B | P51164 | 4/20 | 0.42 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137164 | 0.96 | C5AR1 (0.44) | ALDH1A1KDM4EGAATSHRLMNA | |
| SCHEMBL5135871 | 0.95 | ATP4A (0.44) | ALDH1A1KDM4EGAATSHRLMNA | |
| SCHEMBL5075063 | 0.95 | TP53 (0.42) | ALDH1A1KDM4EGAATSHRLMNA | |
| SCHEMBL5136763 | 0.92 | KDM4E (0.43) | ALDH1A1KDM4EGAATSHRLMNA | |
| SCHEMBL5136000 | 0.92 | ATP4A (0.42) | ALDH1A1KDM4EGAATSHRLMNA | |
| SCHEMBL5075068 | 0.92 | ATP4A (0.52) | ATP4AATP4BDRD2DRD3PPARG | |
| SCHEMBL5144432 | 0.92 | C5AR1 (0.44) | ALDH1A1KDM4EGAATSHRLMNA | |
| SCHEMBL5070096 | 0.92 | ATP4A (0.50) | ATP4AATP4BDRD2DRD3 | |
| SCHEMBL5137336 | 0.91 | ATP4A (0.46) | ATP4AATP4BC5AR1DRD2DRD3 | |
| SCHEMBL651365 | 0.91 | C5AR1 (0.46) | ALDH1A1KDM4EGAATSHRLMNA |
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 |