Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 7/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16884493 | 0.79 | AOC1 (0.56) | AOC1AOC3KDM4EALDH1A1GLA | |
| SCHEMBL29376653 | 0.79 | AOC1 (0.56) | AOC1AOC3KDM4EALDH1A1GLA | |
| SCHEMBL16002688 | 0.79 | AOC1 (0.38) | AOC1AOC3KDM4EALDH1A1GLA | |
| SCHEMBL15786799 | 0.77 | AOC1 (0.44) | AOC1AOC3KDM4EALDH1A1GLA | |
| SCHEMBL16002080 | 0.71 | AOC1 (0.37) | AOC1AOC3KDM4EALDH1A1GLA | |
| SCHEMBL9330010 | 0.70 | — | — | |
| SCHEMBL2046959 | 0.69 | — | — | |
| SCHEMBL30074192 | 0.69 | — | — | |
| SCHEMBL18465038 | 0.69 | CA12 (0.41) | KDM4EALDH1A1GLAGAACA12 | |
| SCHEMBL30703857 | 0.68 | AOC1 (0.56) | AOC1AOC3KDM4EALDH1A1GLA |
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-20160347754-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-01 | — | — | 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-20160347754-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, MAP3K20, TBK1 | AOC1 4499/4885AOC3 4520/4885KDM4E 2266/4885 |
“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.