Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 4/20 | 0.52 |
| ▸ | PRKCI | P41743 | 3/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | TBK1 | Q9UHD2 | 12/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 10/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14059993 | 0.82 | ATR (0.76) | ATRPRKCIGRM5PRKDCTBK1 | |
| SCHEMBL31387927 | 0.82 | ATR (0.76) | ATRPRKCIGRM5PRKDCTBK1 | |
| SCHEMBL20433220 | 0.71 | MAPKAPK2 (0.52) | ATRGRM5PRKDC | |
| SCHEMBL14136996 | 0.70 | ATR (0.50) | ATRGRM5PRKDC | |
| SCHEMBL20433296 | 0.70 | ATR (0.71) | ATRPRKDCCYP3A4 | |
| SCHEMBL559881 | 0.69 | ATR (1.00) | ATRGRM5PRKDCCYP3A4 | |
| SCHEMBL17418738 | 0.69 | ATR (0.45) | ATRGRM5 | |
| SCHEMBL15724439 | 0.69 | ATR (0.68) | ATRPRKCIGRM5PRKDCCYP3A4 | |
| SCHEMBL411951 | 0.68 | ATR (0.75) | ATRPRKCIGRM5PRKDCCYP3A4 | |
| SCHEMBL1800565 | 0.67 | ATR (0.58) | ATRPRKCIGRM5PRKDCCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012161877-A1 | PYRIDINE-AND PYRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-11-29 | — | — | WO | disclosed |