Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.50 |
| ▸ | GSK3A | P49840 | 4/20 | 0.41 |
| ▸ | GSK3B | P49841 | 4/20 | 0.41 |
| ▸ | GBA1 | P04062 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | INSR | P06213 | 1/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | PTAFR | P25105 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5543503 | 0.94 | ADORA1 (0.50) | ADORA1GSK3AGSK3BGBA1F2 | |
| SCHEMBL5550010 | 0.92 | ADORA1 (0.45) | ADORA1GSK3AGSK3BGBA1F2 | |
| SCHEMBL5548924 | 0.86 | ADORA1 (0.54) | ADORA1GSK3AGSK3BGBA1PDE5A | |
| SCHEMBL3525903 | 0.85 | ADORA1 (0.50) | ADORA1GSK3AGSK3BGBA1F2 | |
| SCHEMBL5545500 | 0.81 | ADORA1 (0.49) | ADORA1GSK3AGSK3BGBA1F2 | |
| SCHEMBL5549074 | 0.81 | ADORA1 (0.49) | ADORA1GSK3AGSK3BGBA1F2 | |
| SCHEMBL3525368 | 0.80 | ADORA1 (0.44) | ADORA1GSK3AGSK3BGBA1F2 | |
| SCHEMBL5545446 | 0.80 | ADORA1 (0.44) | ADORA1GSK3AGSK3BGBA1JAK3 | |
| SCHEMBL5549322 | 0.80 | ADORA1 (0.45) | ADORA1GSK3AGSK3BGBA1F2 | |
| SCHEMBL5548882 | 0.80 | ADORA1 (0.45) | ADORA1GSK3AGSK3BGBA1F2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1678180-B1 | SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2007-08-08 | — | — | EP | disclosed |