Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 12/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | ATRIP | Q8WXE1 | 9/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | MTOR | P42345 | 2/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20756810 | 0.87 | PIK3CA (0.41) | ATRPDE4DPIK3C3ATRIPPIK3CA | |
| SCHEMBL20798047 | 0.83 | ATR (0.46) | ATRPDE4DPIK3C3ATRIPPIK3CA | |
| SCHEMBL3983471 | 0.81 | PDCD1 (0.46) | ATRATRIPPIK3CAMTORPDCD1 | |
| SCHEMBL3601081 | 0.77 | ATR (0.43) | ATRPDE4DPIK3C3ATRIPPIK3CA | |
| SCHEMBL27782992 | 0.76 | ATR (0.42) | ATRPIK3C3ATRIPPIK3CAMTOR | |
| SCHEMBL27765251 | 0.75 | PIK3CA (0.40) | ATRPIK3C3ATRIPPIK3CAMTOR | |
| SCHEMBL2369761 | 0.75 | PDCD1 (0.49) | ATRPDE4DPIK3C3ATRIPPIK3CA | |
| SCHEMBL2369766 | 0.75 | PDCD1 (0.49) | ATRPDE4DPIK3C3ATRIPPIK3CA | |
| SCHEMBL15805519 | 0.75 | PDCD1 (0.49) | ATRPDE4DPIK3C3ATRIPPIK3CA | |
| SCHEMBL4201578 | 0.75 | ATR (0.43) | ATRPIK3C3ATRIPPIK3CAMTOR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019036641-A1 | HETEROCYCLIC INHIBITORS OF ATR KINASE | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2019-02-21 | — | — | WO | disclosed |