Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | 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 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6530549 | 0.85 | MAPT (0.54) | KCNH3MEN1KMT2AALDH1A1POLB | |
| SCHEMBL6531533 | 0.83 | CA12 (0.45) | KCNH3MEN1KMT2AALDH1A1POLB | |
| SCHEMBL8298690 | 0.81 | APP (0.54) | KCNH3MEN1KMT2AALDH1A1POLB | |
| SCHEMBL8298689 | 0.80 | CYP2C9 (0.44) | KCNH3ALDH1A1EGFRJAK3BTK | |
| SCHEMBL6528805 | 0.80 | CYP2C9 (0.44) | KCNH3ALDH1A1EGFRJAK3BTK | |
| SCHEMBL6531320 | 0.77 | ALDH1A1 (0.45) | KCNH3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9779973 | 0.72 | MEN1 (0.53) | MEN1KMT2AALDH1A1HPGDMAPT | |
| SCHEMBL8021371 | 0.71 | SAE1 (0.51) | CA12CA1CA2CA9MAPT | |
| SCHEMBL6530247 | 0.71 | ALDH1A1 (0.47) | KCNH3ALDH1A1CA12CA1CA2 | |
| SCHEMBL6530423 | 0.71 | ALDH1A1 (0.47) | KCNH3ALDH1A1CYP1A2CYP2D6CYP2C9 |
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 |