Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 5/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 5/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | LDHB | P07195 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 5/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.32 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.32 |
| ▸ | PRKCG | P05129 | 2/20 | 0.32 |
| ▸ | PRKACA | P17612 | 2/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | GSK3A | P49840 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | PRKX | P51817 | 2/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.32 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16489023 | 0.87 | ATR (0.35) | SCN2ASCN10ALDHALDHBATR | |
| SCHEMBL18181009 | 0.85 | ATR (0.48) | ATRPRKDCATMGSK3B | |
| SCHEMBL18177401 | 0.77 | ATR (0.53) | ATRPRKDCATM | |
| SCHEMBL13138094 | 0.72 | ATR (0.51) | LDHALDHBATR | |
| SCHEMBL18177391 | 0.71 | ATR (0.48) | SCN2ASCN10AATRPRKDCATM | |
| SCHEMBL16070043 | 0.70 | ATR (0.63) | ATRPRKDCGSK3B | |
| SCHEMBL18177397 | 0.69 | ATR (0.42) | SCN2ASCN10AATRPRKDCATM | |
| SCHEMBL10142151 | 0.69 | ATR (0.46) | ATRPRKDCATMMAPK1GSK3A | |
| SCHEMBL18177390 | 0.68 | ATR (0.41) | SCN2ASCN10AATRPRKDCATM | |
| SCHEMBL10119824 | 0.68 | ATR (0.49) | LDHALDHBATRPRKDCATM |
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-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-10-27 | — | — | 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-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | SCN2A 2823/4885SCN10A 4295/4885LDHA 3319/4885 |
“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.