Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21765702 | 0.92 | OPRM1 (0.53) | OPRM1ALDH1A1OPRL1CYP2C19CYP2D6 | |
| SCHEMBL15998890 | 0.86 | OPRM1 (0.51) | OPRM1ALDH1A1OPRL1LMNAHSD11B1 | |
| SCHEMBL25703446 | 0.86 | ALDH1A1 (0.53) | OPRM1ALDH1A1OPRL1CYP2C19CYP2D6 | |
| SCHEMBL21765703 | 0.85 | OPRM1 (0.47) | OPRM1ALDH1A1OPRL1CYP2C19CYP2D6 | |
| SCHEMBL15998880 | 0.84 | OPRM1 (0.46) | OPRM1ALDH1A1OPRL1CYP2C19CYP2D6 | |
| SCHEMBL13131126 | 0.83 | HSD11B1 (0.51) | OPRM1ALDH1A1OPRL1CYP2C19CYP2D6 | |
| SCHEMBL26854735 | 0.80 | OPRM1 (0.46) | OPRM1ALDH1A1OPRL1CYP1A2LMNA | |
| SCHEMBL22802557 | 0.80 | ALDH1A1 (0.59) | OPRM1ALDH1A1OPRL1LMNABLM | |
| SCHEMBL16589307 | 0.80 | OPRM1 (0.43) | OPRM1ALDH1A1OPRL1CYP2C19CYP2D6 | |
| SCHEMBL25876408 | 0.79 | ALDH1A1 (0.50) | OPRM1ALDH1A1CYP2C19CYP2D6CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-24 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| EP-2370424-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010054398-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | WO | 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 (2 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-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | OPRM1 4592/4885ALDH1A1 3958/4885OPRL1 4464/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | OPRM1 4592/4885ALDH1A1 3958/4885OPRL1 4464/4885 |
“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.