Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 19/20 | 0.47 |
| ▸ | ATM | Q13315 | 6/20 | 0.45 |
| ▸ | PRKDC | P78527 | 3/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MERTK | Q12866 | 1/20 | 0.39 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.39 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL506676 | 0.81 | ATR (0.48) | ATRATMPRKDCJAK2ABL1 | |
| SCHEMBL12187136 | 0.79 | ATR (0.51) | ATRATMPRKDCJAK2ABL1 | |
| SCHEMBL10231267 | 0.77 | ATR (0.61) | ATRATMPRKDCJAK2ABL1 | |
| SCHEMBL10228309 | 0.77 | ATR (0.61) | ATRATMPRKDCJAK2ABL1 | |
| SCHEMBL18771102 | 0.76 | ATR (0.59) | ATRATMPRKDC | |
| SCHEMBL505974 | 0.75 | ATR (0.49) | ATRATMPRKDCJAK2ABL1 | |
| SCHEMBL10179538 | 0.74 | ATR (0.58) | ATRATMPRKDCJAK2ABL1 | |
| SCHEMBL506447 | 0.73 | ATR (0.77) | ATRATMPRKDCJAK2ABL1 | |
| SCHEMBL10178601 | 0.73 | ATR (0.58) | ATRATMPRKDCJAK2ABL1 | |
| SCHEMBL20433281 | 0.73 | ATR (0.75) | ATRATMPRKDCJAK2ABL1 |
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 |