Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 5/20 | 0.30 |
| ▸ | MMP9 | P14780 | 4/20 | 0.30 |
| ▸ | MMP7 | P09237 | 2/20 | 0.30 |
| ▸ | MMP3 | P08254 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14104804 | 0.93 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP2C19ROCK2LMNA | |
| SCHEMBL8290037 | 0.90 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19ROCK2LMNA | |
| SCHEMBL13722616 | 0.83 | SLC18A3 (0.37) | ALDH1A1CYP2C9CYP2C19ROCK2LMNA | |
| SCHEMBL13722208 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19ROCK2LMNA | |
| SCHEMBL13723017 | 0.75 | ROCK2 (0.36) | ALDH1A1CYP2C9CYP2C19ROCK2LMNA | |
| SCHEMBL14105779 | 0.75 | ALDH1A1 (0.37) | ALDH1A1CYP2C9CYP2C19LMNAGAA | |
| SCHEMBL8265336 | 0.75 | ALDH1A1 (0.37) | ALDH1A1CYP2C9CYP2C19LMNAGAA | |
| SCHEMBL13558894 | 0.75 | ALDH1A1 (0.37) | ALDH1A1CYP2C9CYP2C19LMNAGAA | |
| SCHEMBL13723078 | 0.73 | MMP1 (0.39) | ALDH1A1ROCK2DAOMMP1MMP9 | |
| SCHEMBL8265701 | 0.73 | HPGD (0.37) | ALDH1A1ROCK2MAPTKMT2ADAO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2335701-B1 | Heterocyclic aspartyl protease inhibitors | SCHERING CORP (US) | 2012-07-11 | — | — | EP | disclosed |