Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ATP4A | P20648 | 1/20 | 0.34 |
| ▸ | ATP4B | P51164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5138090 | 0.95 | TP53 (0.40) | KDM4ESMN1; SMN2C5AR1BCHEGAA | |
| SCHEMBL5135989 | 0.94 | SMN1; SMN2 (0.39) | KDM4ESMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5136445 | 0.92 | DRD2 (0.38) | KDM4ESMN1; SMN2C5AR1BCHEGAA | |
| SCHEMBL5137973 | 0.92 | TP53 (0.41) | SMN1; SMN2C5AR1BCHEGAATP53 | |
| SCHEMBL5137642 | 0.92 | POLB (0.37) | KDM4ESMN1; SMN2C5AR1GAATP53 | |
| SCHEMBL5135326 | 0.90 | C5AR1 (0.36) | KDM4ESMN1; SMN2C5AR1BCHEGAA | |
| SCHEMBL5070081 | 0.89 | SMN1; SMN2 (0.36) | KDM4ESMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5070121 | 0.89 | SMN1; SMN2 (0.41) | KDM4ESMN1; SMN2C5AR1BCHEGAA | |
| SCHEMBL5134803 | 0.88 | BCHE (0.43) | C5AR1BCHE | |
| SCHEMBL5137330 | 0.86 | BCHE (0.43) | C5AR1BCHEMEN1KMT2A |
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 |