Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 14/20 | 0.39 |
| ▸ | ATM | Q13315 | 6/20 | 0.38 |
| ▸ | PRKDC | P78527 | 3/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2635675 | 0.91 | ATR (0.38) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL2635993 | 0.86 | PRKD1 (0.45) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL14859799 | 0.81 | ATR (0.50) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL25042866 | 0.79 | ATR (0.53) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL28952354 | 0.78 | ATR (0.39) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL506684 | 0.73 | ATR (0.37) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL30275257 | 0.73 | ATR (0.37) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL28952452 | 0.72 | PKM (0.40) | ATRATMNPC1RAB9ARXFP1 | |
| SCHEMBL506782 | 0.72 | ATR (0.36) | ATRATMPRKDCGSK3BJAK2 | |
| SCHEMBL13178677 | 0.71 | ATR (0.55) | ATRATMPRKDCGSK3BJAK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |