Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.54 |
| ▸ | GBA1 | P04062 | 7/20 | 0.48 |
| ▸ | PDE5A | O76074 | 4/20 | 0.44 |
| ▸ | GSK3A | P49840 | 4/20 | 0.42 |
| ▸ | GSK3B | P49841 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3525903 | 0.87 | ADORA1 (0.50) | ADORA1GBA1PDE5AGSK3AGSK3B | |
| SCHEMBL5543633 | 0.86 | ADORA1 (0.50) | ADORA1GBA1PDE5AGSK3AGSK3B | |
| SCHEMBL5550083 | 0.85 | ADORA1 (0.53) | ADORA1GBA1PDE5AGSK3AGSK3B | |
| SCHEMBL5543503 | 0.84 | ADORA1 (0.50) | ADORA1GBA1PDE5AGSK3AGSK3B | |
| SCHEMBL5550010 | 0.81 | ADORA1 (0.45) | ADORA1GBA1GSK3AGSK3BMAPK1 | |
| SCHEMBL5549306 | 0.79 | ADORA1 (0.52) | ADORA1GBA1PDE5AGSK3AGSK3B | |
| SCHEMBL5548429 | 0.79 | ADORA1 (0.53) | ADORA1GBA1PDE5AGSK3AGSK3B | |
| SCHEMBL3527078 | 0.77 | ADORA1 (0.46) | ADORA1GBA1PDE5AGSK3AGSK3B | |
| SCHEMBL5548920 | 0.76 | ADORA1 (0.50) | ADORA1GBA1PDE5AGSK3AGSK3B | |
| SCHEMBL5543566 | 0.75 | MAPK1 (0.52) | ALDH1A1POLBNPC1MAPTRAB9A |
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 |