Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.33 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | 0.94 | NAMPT (0.41) | NAMPTHTR1DHTR1BCYP17A1CYP2A6 | |
| SCHEMBL6596669 | 0.87 | CYP17A1 (0.37) | NAMPTCYP17A1CYP3A4RAB9ATRPV1 | |
| SCHEMBL1635061 | 0.82 | NAMPT (0.47) | NAMPTCYP17A1RAB9A | |
| SCHEMBL30759207 | 0.82 | NAMPT (0.47) | NAMPTCYP17A1RAB9A | |
| SCHEMBL6606922 | 0.81 | HTR1D (0.33) | NAMPTHTR1DHTR1BCYP17A1CYP2A6 | |
| SCHEMBL6034096 | 0.78 | CYP2A6 (0.44) | HTR1DHTR1BCYP2A6CYP3A4 | |
| SCHEMBL6035359 | 0.74 | ALDH1A1 (0.36) | NAMPTHTR1DHTR1BCYP2A6PDE5A | |
| SCHEMBL17347511 | 0.74 | CYP17A1 (0.37) | NAMPTCYP17A1CYP3A4RAB9A | |
| SCHEMBL18848179 | 0.73 | ALDH1A1 (0.41) | NAMPTCYP17A1CYP3A4TRPV1 | |
| SCHEMBL4037373 | 0.72 | NAMPT (0.47) | NAMPTCYP17A1RAB9A |
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 |