Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.71 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.65 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.63 |
| ▸ | INSR | P06213 | 1/20 | 0.61 |
| ▸ | IGF1R | P08069 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL23248597 | 0.90 | EGFR (0.75) | EGFRALKMAPK3IGF1RKCNH2 | |
| SCHEMBL23248551 | 0.90 | EGFR (0.70) | EGFRALKMAPK3 | |
| SCHEMBL23248546 | 0.89 | EGFR (0.72) | EGFRALKMAPK3INSRIGF1R | |
| SCHEMBL19027802 | 0.89 | EGFR (0.79) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL15531748 | 0.88 | EGFR (0.72) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL30223046 | 0.86 | EGFR (0.61) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL17792774 | 0.86 | EGFR (0.68) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL30223003 | 0.85 | EGFR (0.60) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL25004490 | 0.85 | EGFR (0.60) | EGFRALKINSRIGF1RKCNH2 | |
| SCHEMBL17196832 | 0.85 | EGFR (0.74) | EGFRALKINSRIGF1RKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021075691-A1 | PYRIMIDINE DERIVATIVE, METHOD OF PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME AS EFFECTIVE COMPONENT | 한국화학연구원 | 2021-04-22 | — | — | WO | claimed |
| WO-2021075691-A1 | PYRIMIDINE DERIVATIVE, METHOD OF PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME AS EFFECTIVE COMPONENT | 한국화학연구원 | 2021-04-22 | — | — | WO | disclosed |
| WO-2021075691-A1 | PYRIMIDINE DERIVATIVE, METHOD OF PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME AS EFFECTIVE COMPONENT | 한국화학연구원 | 2021-04-22 | — | — | WO | disclosed |