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 |
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.41 |
| ▸ | FCGR3B | O75015 | 1/20 | 0.40 |
| ▸ | FCGR1A | P12314 | 1/20 | 0.40 |
| ▸ | FCGR2A | P12318 | 1/20 | 0.40 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6530426 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6530247 | 0.93 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6529732 | 0.89 | CA1 (0.52) | ALDH1A1 | |
| SCHEMBL6529735 | 0.89 | CA1 (0.52) | ALDH1A1 | |
| SCHEMBL8298689 | 0.88 | CYP2C9 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6528805 | 0.88 | CYP2C9 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6531002 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6530084 | 0.86 | RORC (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6530078 | 0.86 | RORC (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6529452 | 0.84 | CDC7 (0.44) | CYP1A2CYP2C9CYP2C19KCNH3 |
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 | claimed |