Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 17/20 | 0.54 |
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.41 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18180908 | 0.85 | ATR (0.56) | ATRGSK3BATRIPPRKDCATM | |
| SCHEMBL18177406 | 0.83 | SCN2A (0.38) | ATRGSK3BCCNE2CCNE1CDK2 | |
| SCHEMBL13138298 | 0.83 | ATR (0.52) | ATRGSK3BPRKDCATMJAK2 | |
| SCHEMBL18180865 | 0.82 | ATR (0.61) | ATRGSK3BPRKDCATMJAK2 | |
| SCHEMBL18180887 | 0.82 | ATR (0.59) | ATRGSK3BCCNE2CCNE1CDK2 | |
| SCHEMBL16491612 | 0.81 | ATR (0.58) | ATRGSK3BPRKDCATMJAK2 | |
| SCHEMBL18180976 | 0.80 | ATR (0.51) | ATRGSK3BPRKDCATMJAK2 | |
| SCHEMBL18180944 | 0.80 | ATR (0.57) | ATRGSK3BCCNE2CCNE1CDK2 | |
| SCHEMBL13138295 | 0.80 | ATR (0.52) | ATRGSK3BPRKDCATMJAK2 | |
| SCHEMBL20432976 | 0.78 | ATR (0.55) | ATRGSK3BPRKDCATMJAK2 |
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 | ATR 1/4885GSK3B 216/4885CCNE2 1338/4885 |
“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.