Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 2/20 | 0.35 |
| ▸ | ATP4B | P51164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5135036 | 0.96 | KDM4E (0.38) | HDAC1DRD2DRD3C5AR1ATP4A | |
| SCHEMBL5074328 | 0.92 | DRD2 (0.38) | HDAC1DRD2DRD3C5AR1ATP4A | |
| SCHEMBL5147547 | 0.88 | EGFR (0.44) | HDAC1DRD2DRD3C5AR1ATP4A | |
| SCHEMBL5137485 | 0.88 | C5AR1 (0.42) | HDAC1DRD2DRD3C5AR1ATP4A | |
| SCHEMBL5136790 | 0.88 | ALOX5 (0.42) | C5AR1GAAALDH1A1TSHRPKM | |
| SCHEMBL5135183 | 0.87 | PDE4B (0.39) | HDAC1DRD2DRD3C5AR1ATP4A | |
| SCHEMBL5134803 | 0.85 | BCHE (0.43) | C5AR1BCHE | |
| SCHEMBL5138086 | 0.84 | C5AR1 (0.42) | DRD2DRD3C5AR1ALDH1A1TSHR | |
| SCHEMBL5136719 | 0.83 | EGFR (0.43) | HDAC1C5AR1ALDH1A1TSHRMAPT | |
| SCHEMBL5075007 | 0.83 | MAPT (0.44) | HDAC1DRD2DRD3C5AR1ATP4A |
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 |