Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4627927 | 1.00 | ALDH1A1 (0.37) | ALDH1A1GAAL3MBTL1NPSR1MAPK1 | |
| SCHEMBL4564085 | 0.86 | HSP90AA1 (0.39) | ALDH1A1GAAL3MBTL1HSP90AA1CYP19A1 | |
| SCHEMBL4629499 | 0.86 | HSP90AA1 (0.39) | ALDH1A1GAAL3MBTL1LMNAHSP90AA1 | |
| SCHEMBL4564158 | 0.85 | HTR2B (0.36) | ALDH1A1GAAL3MBTL1HSP90AA1HTR2B | |
| SCHEMBL4564251 | 0.84 | DRD2 (0.36) | ALDH1A1GAAL3MBTL1HSP90AA1 | |
| SCHEMBL4564453 | 0.84 | HSP90AA1 (0.34) | ALDH1A1GAAL3MBTL1HSP90AA1 | |
| SCHEMBL4564188 | 0.84 | LTB4R (0.34) | ALDH1A1GAAL3MBTL1HSP90AA1CYP19A1 | |
| SCHEMBL4627857 | 0.84 | ALDH1A1 (0.32) | ALDH1A1GAAL3MBTL1HSP90AA1CYP3A4 | |
| SCHEMBL4658821 | 0.83 | HCRTR1 (0.32) | ALDH1A1GAAL3MBTL1HSP90AA1HTR2B | |
| SCHEMBL4564019 | 0.83 | LMNA (0.38) | ALDH1A1GAAL3MBTL1LMNAHSP90AA1 |
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 2 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 |