Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 7/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.34 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24681931 | 0.87 | ATR (0.58) | ATR | |
| SCHEMBL20433293 | 0.80 | NPC1 (0.39) | ATRADORA1MAOBKDM4EPOLB | |
| SCHEMBL20433561 | 0.78 | ATR (0.38) | ATR | |
| SCHEMBL20433233 | 0.77 | BCHE (0.31) | BCHEACHEENPP3 | |
| SCHEMBL20433069 | 0.77 | ATR (0.47) | ATRKDM4E | |
| SCHEMBL20433483 | 0.76 | ATR (0.59) | ATR | |
| SCHEMBL20433491 | 0.76 | ATR (0.59) | ATR | |
| SCHEMBL20433492 | 0.76 | ATR (0.52) | ATRMAOB | |
| SCHEMBL20433319 | 0.75 | ATR (0.51) | ATR | |
| SCHEMBL20433365 | 0.75 | ATR (0.54) | ATRKDM4EPOLB |
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-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |