Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 5/20 | 0.43 |
| ▸ | AKT1 | P31749 | 3/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 4/20 | 0.37 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | INSR | P06213 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | GPR6 | P46095 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL16079675 | 1.00 | PIK3CA (0.43) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL21278971 | 0.97 | PIK3CA (0.41) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL16079692 | 0.97 | PIK3CA (0.41) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL17750611 | 0.94 | PIK3CA (0.40) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL21278996 | 0.93 | PIK3CA (0.41) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL21278936 | 0.93 | PIK3CA (0.41) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL16079601 | 0.93 | PIK3CA (0.41) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL21278902 | 0.93 | PIK3CA (0.41) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL17750674 | 0.93 | MAPK1 (0.46) | PIK3CAAKT1MTORTTKSYK | |
| SCHEMBL21278999 | 0.93 | MAPK1 (0.46) | PIK3CAAKT1MTORTTKSYK |
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-3985003-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2023-08-09 | — | — | EP | disclosed |
| EP-3527563-A1 | DNA-PK INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2019-08-21 | — | — | EP | disclosed |