Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 18/20 | 0.67 |
| ▸ | PRKDC | P78527 | 5/20 | 0.67 |
| ▸ | IKBKB | O14920 | 1/20 | 0.64 |
| ▸ | ATM | Q13315 | 2/20 | 0.61 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3462610 | 0.97 | ATR (0.63) | ATRPRKDCIKBKBATMMAP2K3 | |
| SCHEMBL3460420 | 0.90 | ASIC3 (0.63) | ATRPRKDCIKBKBATM | |
| SCHEMBL318797 | 0.88 | ATR (0.68) | ATRPRKDCIKBKBATMCYP3A4 | |
| SCHEMBL20433206 | 0.86 | ATR (0.67) | ATRIKBKBCYP3A4 | |
| Hydrochloric Acid SCHEMBL28324236 | 0.85 | IKBKB (0.58) | ATRPRKDCIKBKBATMMAP2K3 | |
| SCHEMBL14525246 | 0.85 | ATR (0.65) | ATRPRKDCATMCYP3A4 | |
| SCHEMBL3460235 | 0.85 | ATR (0.70) | ATRPRKDC | |
| SCHEMBL3460497 | 0.84 | ATR (0.71) | ATRPRKDCATM | |
| SCHEMBL18895999 | 0.84 | ATR (0.64) | ATRPRKDCIKBKBATM | |
| SCHEMBL5684569 | 0.84 | ATR (0.63) | ATRPRKDCATMCYP3A4 |
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-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2022-02-16 | — | — | EP | disclosed |