Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 6/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | MAT2A | P31153 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL20433069 | 0.83 | ATR (0.47) | ATR | |
| SCHEMBL20433561 | 0.80 | ATR (0.38) | ATRPRKDC | |
| SCHEMBL20433319 | 0.80 | ATR (0.51) | ATR | |
| SCHEMBL20433365 | 0.80 | ATR (0.54) | ATRJAK2PRKDCMAPT | |
| SCHEMBL24681070 | 0.77 | ATR (0.36) | ATRPRKDC | |
| SCHEMBL20433040 | 0.77 | ATR (0.53) | ATRKDRKCNH2PRKDC | |
| SCHEMBL20433495 | 0.77 | ATR (0.36) | ATRPRKDC | |
| SCHEMBL20433339 | 0.76 | ATR (0.42) | ATRMAOB | |
| SCHEMBL20433145 | 0.76 | ATR (0.58) | ATRFYN | |
| SCHEMBL20433177 | 0.75 | ATR (0.55) | ATRMAOBPRKDC |
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-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |