Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.60 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.59 |
| ▸ | INSR | P06213 | 1/20 | 0.54 |
| ▸ | IGF1R | P08069 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30223003 | 1.00 | EGFR (0.60) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL30223046 | 0.96 | EGFR (0.61) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL30223069 | 0.91 | ALK (0.62) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL30223482 | 0.87 | ALK (0.62) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL29216391 | 0.86 | EGFR (0.72) | EGFRALKINSRIGF1R | |
| SCHEMBL30141622 | 0.86 | EGFR (0.72) | EGFRALKINSRIGF1R | |
| SCHEMBL23248556 | 0.85 | EGFR (0.71) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL30223022 | 0.85 | EGFR (0.68) | EGFRALKINSRKCNH2 | |
| SCHEMBL30223088 | 0.84 | EGFR (0.60) | EGFRALKINSRKCNH2 | |
| SCHEMBL27237984 | 0.84 | EGFR (0.60) | EGFRALKINSRKCNH2 |
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-2023014022-A1 | PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT | 한국화학연구원 | 2023-02-09 | — | — | WO | disclosed |