Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | LATS1 | O95835 | 1/20 | 0.32 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.32 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6034950 | 0.87 | CYP17A1 (0.44) | CYP17A1NAMPTATRRAB9ACCNE2 | |
| SCHEMBL1020140 | 0.84 | CYP17A1 (0.47) | CYP17A1NAMPTATRRAB9AIDO1 | |
| SCHEMBL29957148 | 0.84 | CYP17A1 (0.47) | CYP17A1NAMPTATRRAB9AIDO1 | |
| SCHEMBL6604921 | 0.82 | CYP17A1 (0.32) | CYP17A1RAB9ACCNE2CCNE1CDK2 | |
| SCHEMBL6035358 | 0.80 | CCNE2 (0.42) | CCNE2CCNE1CDK2GSK3BSLC6A2 | |
| SCHEMBL12018154 | 0.78 | CYP17A1 (0.48) | CYP17A1NAMPTATRRAB9ALATS1 | |
| SCHEMBL30601022 | 0.78 | CYP17A1 (0.48) | CYP17A1NAMPTATRRAB9ALATS1 | |
| SCHEMBL3824156 | 0.75 | KDM4C (0.42) | — | |
| SCHEMBL3537539 | 0.75 | NAMPT (0.42) | CYP17A1NAMPTATRRAB9ABRD9 | |
| SCHEMBL3537542 | 0.75 | NAMPT (0.42) | CYP17A1NAMPTATRRAB9ABRD9 |
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-1414801-A1 | ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 | AstraZeneca AB (SE) | 2004-05-06 | — | — | EP | disclosed |
| WO-2003004472-A1 | ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 | ASTRAZENECA AB (SE) | 2003-01-16 | — | — | WO | disclosed |