Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE1A | P54750 | 1/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6627397 | 0.94 | ACHE (0.39) | ACHEBACE1DRD2CYP17A1PDE5A | |
| SCHEMBL6035419 | 0.93 | ACHE (0.46) | ACHEBACE1DRD2CYP17A1NAMPT | |
| SCHEMBL6595160 | 0.83 | GPR119 (0.34) | ACHEBACE1NAMPTCYP3A4GPR119 | |
| SCHEMBL6604898 | 0.83 | CCNE2 (0.45) | ACHEBACE1CYP17A1NAMPTPDE5A | |
| SCHEMBL6035089 | 0.82 | HRH3 (0.45) | DRD2TDP1L3MBTL1HRH3NAMPT | |
| SCHEMBL12018154 | 0.80 | CYP17A1 (0.48) | CYP17A1NAMPTCYP3A4 | |
| SCHEMBL30601022 | 0.80 | CYP17A1 (0.48) | CYP17A1NAMPTCYP3A4 | |
| SCHEMBL8209502 | 0.80 | CYP17A1 (0.43) | CYP17A1NAMPTCYP3A4 | |
| SCHEMBL23970808 | 0.77 | CYP17A1 (0.45) | CYP17A1NAMPTGPR119 | |
| SCHEMBL30411576 | 0.77 | CYP17A1 (0.45) | CYP17A1NAMPTGPR119 |
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 |