Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 3/20 | 0.36 |
| ▸ | PTK6 | Q13882 | 2/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE1A | P54750 | 2/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6595468 | 0.94 | ACHE (0.42) | ACHEBACE1DRD2CCNE2CCNE1 | |
| SCHEMBL6604898 | 0.88 | CCNE2 (0.45) | ACHEBACE1CCNE2CCNE1CDK2 | |
| SCHEMBL6035419 | 0.88 | ACHE (0.46) | ACHEBACE1DRD2CYP17A1 | |
| SCHEMBL6595160 | 0.78 | GPR119 (0.34) | ACHEBACE1CCNE2CCNE1CDK2 | |
| SCHEMBL6034963 | 0.78 | HRH3 (0.54) | DRD2 | |
| SCHEMBL6035089 | 0.77 | HRH3 (0.45) | DRD2CCNE2CCNE1CDK2GSK3B | |
| SCHEMBL12018154 | 0.75 | CYP17A1 (0.48) | CYP17A1 | |
| SCHEMBL30601022 | 0.75 | CYP17A1 (0.48) | CYP17A1 | |
| SCHEMBL8209502 | 0.75 | CYP17A1 (0.43) | CYP17A1ALDH1A1 | |
| SCHEMBL5746021 | 0.74 | NAMPT (0.47) | CYP17A1KDM4EALDH1A1GLAGAA |
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-1406877-A1 | HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 | AstraZeneca AB (SE) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003004475-A1 | HETEROCYCLIC AMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 | ASTRAZENECA AB (SE) | 2003-01-16 | — | — | WO | disclosed |