Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.36 |
| ▸ | DRD3 | P35462 | 6/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | XIAP | P98170 | 3/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564228 | 0.87 | CACNA1B (0.35) | DRD2DRD3HTR2AHCRTR2 | |
| SCHEMBL4563278 | 0.85 | PGR (0.39) | — | |
| SCHEMBL4556263 | 0.84 | ALDH1A1 (0.37) | ALDH1A1GAAL3MBTL1HSP90AA1 | |
| SCHEMBL4627927 | 0.84 | ALDH1A1 (0.37) | ALDH1A1GAAL3MBTL1HSP90AA1 | |
| SCHEMBL4627857 | 0.83 | ALDH1A1 (0.32) | HCRTR2ALDH1A1GAAL3MBTL1HSP90AA1 | |
| SCHEMBL4564085 | 0.78 | HSP90AA1 (0.39) | DRD2DRD3ALDH1A1GAAL3MBTL1 | |
| SCHEMBL4629499 | 0.78 | HSP90AA1 (0.39) | DRD2DRD3HTR2AALDH1A1GAA | |
| SCHEMBL4564158 | 0.78 | HTR2B (0.36) | ALDH1A1GAAL3MBTL1HSP90AA1 | |
| SCHEMBL4564188 | 0.77 | LTB4R (0.34) | ALDH1A1GAAL3MBTL1HSP90AA1 | |
| SCHEMBL4564453 | 0.77 | HSP90AA1 (0.34) | HTR2AHCRTR2ALDH1A1GAAL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125825-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079139-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |
| EP-1907395-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007002867-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2007-01-04 | — | — | WO | disclosed |