Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 17/20 | 0.59 |
| ▸ | CD274 | Q9NZQ7 | 17/20 | 0.59 |
| ▸ | CHEK1 | O14757 | 15/20 | 0.59 |
| ▸ | ATR | Q13535 | 11/20 | 0.54 |
| ▸ | ATRIP | Q8WXE1 | 9/20 | 0.54 |
| ▸ | MTOR | P42345 | 4/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27794030 | 0.89 | CHEK1 (0.49) | PDCD1CD274CHEK1ATRATRIP | |
| SCHEMBL3723256 | 0.87 | PDCD1 (0.56) | PDCD1CD274CHEK1ATRATRIP | |
| SCHEMBL3723251 | 0.87 | PDCD1 (0.56) | PDCD1CD274CHEK1ATRATRIP | |
| SCHEMBL27815303 | 0.86 | ATR (0.49) | PDCD1CD274CHEK1ATRATRIP | |
| SCHEMBL3730136 | 0.80 | PIK3CA (0.70) | PDCD1CD274CHEK1MTORPIK3CD | |
| SCHEMBL27765367 | 0.80 | ATR (0.59) | PDCD1CD274CHEK1ATRATRIP | |
| SCHEMBL3598683 | 0.79 | PIK3CA (0.56) | PDCD1CD274CHEK1ATRATRIP | |
| SCHEMBL627844 | 0.79 | PIK3CA (0.43) | PDCD1CD274CHEK1MTORPIK3CD | |
| SCHEMBL3608383 | 0.78 | CHEK1 (0.51) | PDCD1CD274CHEK1ATRATRIP | |
| SCHEMBL737810 | 0.78 | PIK3CA (0.55) | PDCD1CD274CHEK1ATRATRIP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010120994-A2 | UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS | WYETH LLC (US) | 2010-10-21 | — | — | WO | disclosed |