Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | FCGR3B | O75015 | 1/20 | 0.40 |
| ▸ | FCGR1A | P12314 | 1/20 | 0.40 |
| ▸ | FCGR2A | P12318 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6530423 | 0.93 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6530426 | 0.93 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6531002 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6529116 | 0.87 | CA1 (0.60) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6529110 | 0.87 | CA1 (0.60) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6528931 | 0.84 | KCNH3 (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6529735 | 0.82 | CA1 (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6529732 | 0.82 | CA1 (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8298689 | 0.81 | CYP2C9 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6528805 | 0.81 | CYP2C9 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |