Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 18/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6229257 | 0.79 | MLYCD (0.54) | MLYCDCES1ALDH1A1GLATSHR | |
| SCHEMBL23388694 | 0.79 | KMT2A (0.51) | ALDH1A1GLATSHR | |
| SCHEMBL1485847 | 0.77 | ALDH1A1 (0.48) | MLYCDALDH1A1GLATSHR | |
| SCHEMBL10665654 | 0.77 | MLYCD (0.45) | MLYCDALDH1A1GLATSHR | |
| SCHEMBL31211553 | 0.75 | CES1 (0.67) | MLYCDCES1ALDH1A1 | |
| SCHEMBL5702191 | 0.74 | ALDH1A1 (0.53) | ALDH1A1GLATSHR | |
| SCHEMBL5702149 | 0.74 | ALDH1A1 (0.53) | ALDH1A1GLATSHR | |
| SCHEMBL5949981 | 0.74 | MAPT (0.59) | MLYCDCES1ALDH1A1TSHR | |
| SCHEMBL4630024 | 0.74 | HSD11B1 (0.56) | MLYCDTSHR | |
| SCHEMBL380050 | 0.74 | ALDH1A1 (0.76) | ALDH1A1GLATSHR |
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-2401275-A1 | NOVEL BRONCHODILATING DIAZAHETEROARYLS | Respiratorius AB (SE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097410-A1 | NOVEL BRONCHODILATING DIAZAHETEROARYLS | RESPIRATORIUS AB (SE) | 2010-09-02 | — | — | WO | disclosed |