Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 8/20 | 0.45 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL6530078 | 1.00 | RORC (0.45) | RORCKCNH3CTSKDHFRABCG2 | |
| SCHEMBL8298689 | 0.88 | CYP2C9 (0.44) | KCNH3CTSKALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6528805 | 0.88 | CYP2C9 (0.44) | KCNH3CTSKALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6508189 | 0.87 | KCNH3 (0.41) | KCNH3CTSKALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6508192 | 0.87 | KCNH3 (0.41) | KCNH3CTSKALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6530423 | 0.86 | ALDH1A1 (0.47) | KCNH3CTSKALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6530426 | 0.86 | ALDH1A1 (0.47) | KCNH3CTSKALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6530469 | 0.85 | NPR3 (0.55) | KCNH3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6530463 | 0.85 | NPR3 (0.55) | KCNH3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6515009 | 0.81 | ALDH1A1 (0.43) | KCNH3CTSKALDH1A1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |