Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 3/20 | 0.33 |
| ▸ | HTR1B | P28222 | 3/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HCK | P08631 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL6035878 | 0.86 | NAMPT (0.41) | HTR1DHTR1BNAMPTCYP17A1CYP3A4 | |
| SCHEMBL6607970 | 0.81 | NAMPT (0.38) | HTR1DHTR1BNAMPTCYP17A1CYP3A4 | |
| SCHEMBL6034096 | 0.71 | CYP2A6 (0.44) | HTR1DHTR1BCYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL6034703 | 0.71 | AOC1 (0.52) | HTR1DHTR1BCYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL6034950 | 0.70 | CYP17A1 (0.44) | NAMPTCYP17A1ATRCYP3A4KCNQ4 | |
| SCHEMBL17347511 | 0.70 | CYP17A1 (0.37) | NAMPTCYP17A1CYP3A4 | |
| SCHEMBL18848179 | 0.69 | ALDH1A1 (0.41) | NAMPTCYP17A1CYP3A4ALDH1A1 | |
| SCHEMBL6627397 | 0.69 | ACHE (0.39) | CYP17A1ALDH1A1PDE5APDE4APDE1A | |
| SCHEMBL5746021 | 0.69 | NAMPT (0.47) | NAMPTCYP17A1ALDH1A1 | |
| SCHEMBL28390904 | 0.69 | NAMPT (0.47) | NAMPTCYP17A1ATRALDH1A1 |
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 |