Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 4/20 | 0.36 |
| ▸ | GSK3B | P49841 | 4/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5549322 | 0.93 | ADORA1 (0.45) | ADORA1GSK3AGSK3B | |
| SCHEMBL5549397 | 0.92 | ADORA1 (0.43) | ADORA1GSK3AGSK3BADRB3KCNH2 | |
| SCHEMBL5545500 | 0.92 | ADORA1 (0.49) | ADORA1GSK3AGSK3BCYP3A4CYP2D6 | |
| SCHEMBL5543583 | 0.91 | ADORA1 (0.43) | ADORA1GSK3AGSK3BADRB2ADRB1 | |
| SCHEMBL5549074 | 0.88 | ADORA1 (0.49) | ADORA1GSK3AGSK3BTBXAS1CYP3A4 | |
| SCHEMBL3525368 | 0.85 | ADORA1 (0.44) | ADORA1GSK3AGSK3B | |
| SCHEMBL5548882 | 0.83 | ADORA1 (0.45) | ADORA1GSK3AGSK3B | |
| SCHEMBL5543503 | 0.80 | ADORA1 (0.50) | ADORA1GSK3AGSK3BCYP3A4CYP2D6 | |
| SCHEMBL5548920 | 0.79 | ADORA1 (0.50) | ADORA1GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL5543584 | 0.78 | ADORA1 (0.40) | ADORA1GSK3AGSK3BTBXAS1 |
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 |