Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 7/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | DRD3 | P35462 | 4/20 | 0.34 |
| ▸ | DRD1 | P21728 | 3/20 | 0.34 |
| ▸ | DRD4 | P21917 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 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 | |
|---|---|---|---|---|
| SCHEMBL5136445 | 0.93 | DRD2 (0.38) | TP53BCHEC5AR1CASRGAA | |
| SCHEMBL5138090 | 0.92 | TP53 (0.40) | TP53BCHEC5AR1GAASMN1; SMN2 | |
| SCHEMBL5137642 | 0.92 | POLB (0.37) | TP53MAPTC5AR1CASRGAA | |
| SCHEMBL5137367 | 0.92 | KDM4E (0.37) | TP53MAPTBCHEC5AR1GAA | |
| SCHEMBL5135326 | 0.90 | C5AR1 (0.36) | TP53BCHEC5AR1CASRGAA | |
| SCHEMBL5137330 | 0.87 | BCHE (0.43) | BCHEC5AR1CASRACHE | |
| SCHEMBL5137007 | 0.87 | DRD2 (0.38) | TP53BCHEC5AR1CASRGAA | |
| SCHEMBL5070121 | 0.86 | SMN1; SMN2 (0.41) | TP53BCHEC5AR1GAASMN1; SMN2 | |
| SCHEMBL5135989 | 0.85 | SMN1; SMN2 (0.39) | TP53MAPTBCHEC5AR1GAA | |
| SCHEMBL5069962 | 0.85 | BCHE (0.45) | BCHEC5AR1CASRTSHRACHE |
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 |