Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.67 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.67 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.67 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.67 |
| ▸ | CHRNA6 | Q15825 | 3/20 | 0.67 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL12801548 | 1.00 | CHRNB2 (0.67) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| SCHEMBL18307174 | 1.00 | CHRNB2 (0.67) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| Hydrochloric Acid SCHEMBL1907507 | 0.82 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| SCHEMBL1996071 | 0.81 | CHRNB2 (0.53) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| Hydrochloric Acid SCHEMBL2820401 | 0.81 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| SCHEMBL12265135 | 0.80 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| SCHEMBL13050999 | 0.79 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| SCHEMBL1008896 | 0.79 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| SCHEMBL4408215 | 0.79 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 | |
| SCHEMBL30546694 | 0.79 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6 |
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 9 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-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 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | 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 |
| 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 | CHRNB2 2713/4885CHRNA4 3990/4885CHRNA3 3557/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | CHRNB2 2713/4885CHRNA4 3990/4885CHRNA3 3557/4885 |
“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.