Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | FADS1 | O60427 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | USP1 | O94782 | 1/20 | 0.35 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL786010 | 0.87 | USP1 (0.49) | GSK3AGSK3BFADS1LCKITK | |
| SCHEMBL13854193 | 0.82 | LCK (0.39) | GSK3AGSK3BFADS1LCKITK | |
| SCHEMBL958497 | 0.82 | CYP1A2 (0.43) | GSK3AGSK3BFADS1LCKITK | |
| SCHEMBL12653894 | 0.79 | MAPK8 (0.38) | GSK3AGSK3BFADS1LCKITK | |
| SCHEMBL801495 | 0.79 | CYP1A2 (0.48) | LCKITKAURKBUSP1WDR48 | |
| SCHEMBL5261414 | 0.78 | WNT1 (0.45) | FADS1POLBMAPTMAPK1ADRA2A | |
| SCHEMBL801908 | 0.76 | USP1 (0.41) | GSK3AGSK3BFADS1LCKITK | |
| SCHEMBL786816 | 0.76 | USP1 (0.43) | FADS1LCKITKAURKBMAPT | |
| SCHEMBL801899 | 0.75 | USP1 (0.40) | GSK3AGSK3BFADS1LCKITK | |
| SCHEMBL801905 | 0.74 | RBP4 (0.46) | LCKITKAURKBGRM4EGFR |
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-1318814-B1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2007-05-30 | — | — | EP | disclosed |