Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 7/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 7/20 | 0.54 |
| ▸ | ATR | Q13535 | 5/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.54 |
| ▸ | ATRIP | Q8WXE1 | 4/20 | 0.54 |
| ▸ | PIK3C3 | Q8NEB9 | 8/20 | 0.48 |
| ▸ | MTOR | P42345 | 5/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19259405 | 0.90 | PIK3C3 (0.54) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL24156689 | 0.90 | PIK3C3 (0.54) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL19259511 | 0.90 | PIK3C3 (0.54) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL22170311 | 0.84 | PIK3C3 (0.49) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL20777024 | 0.83 | PIK3C3 (0.48) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL20777023 | 0.83 | PIK3C3 (0.48) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL24156988 | 0.81 | PIK3C3 (0.46) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL24156414 | 0.81 | PIK3C3 (0.46) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL24156125 | 0.81 | PIK3C3 (0.46) | PDCD1CD274ATRCHEK1ATRIP | |
| SCHEMBL20651597 | 0.80 | PDCD1 (0.74) | PDCD1CD274ATRCHEK1ATRIP |
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-3765008-B1 | HETEROCYCLIC INHIBITORS OF ATR KINASE | UNIV TEXAS (US) | 2023-06-07 | — | — | EP | disclosed |
| WO-2019178590-A1 | HETEROCYCLIC INHIBITORS OF ATR KINASE | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2019-09-19 | — | — | WO | disclosed |