Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 4/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29376653 | 0.80 | AOC1 (0.56) | AOC1AOC3KDM4EALDH1A1GAA | |
| SCHEMBL16884493 | 0.80 | AOC1 (0.56) | AOC1AOC3KDM4EALDH1A1GAA | |
| SCHEMBL18272194 | 0.79 | AOC1 (0.44) | AOC1AOC3KDM4EALDH1A1GAA | |
| SCHEMBL15786799 | 0.72 | AOC1 (0.44) | AOC1AOC3KDM4EALDH1A1GAA | |
| SCHEMBL16002080 | 0.72 | AOC1 (0.37) | AOC1AOC3KDM4EALDH1A1GAA | |
| SCHEMBL9330010 | 0.72 | — | — | |
| SCHEMBL2046959 | 0.70 | — | — | |
| SCHEMBL30074192 | 0.70 | — | — | |
| SCHEMBL15432239 | 0.69 | XIAP (0.45) | KDM4EALDH1A1GAAGLAMEN1 | |
| SCHEMBL15786798 | 0.69 | AOC1 (0.37) | AOC1AOC3KDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-20140249157-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2014-09-04 | — | — | 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-20140249157-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, MAP3K20, CHEK1 | AOC1 4507/4885AOC3 4529/4885KDM4E 2263/4885 |
“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.