Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | HCK | P08631 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.44 |
| ▸ | MTOR | P42345 | 2/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.44 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.44 |
| ▸ | PRKDC | P78527 | 2/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | BUB1 | O43683 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1056190 | 0.89 | CYP2A6 (0.51) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL31229889 | 0.88 | PIK3CD (0.44) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL1056554 | 0.88 | PIK3CD (0.44) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL21457948 | 0.86 | PIK3CD (0.43) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL21457950 | 0.86 | PIK3CD (0.43) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL12989265 | 0.85 | PIK3CD (0.42) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL12989264 | 0.85 | PIK3CD (0.42) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL19787499 | 0.85 | PIK3CD (0.42) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL30417764 | 0.85 | PIK3CD (0.42) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL34460129 | 0.84 | HDAC1 (0.45) | PIK3CDABL1EGFRHCKSRC |
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 |
|---|---|---|---|---|---|---|---|
| US-20130095193-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-18 | — | — | US | disclosed |
| US-20130095193-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130095193-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | PIK3CD 69/4885ABL1 86/4885EGFR 1518/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.