Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.69 |
| ▸ | ALK | Q9UM73 | 6/20 | 0.69 |
| ▸ | EML4 | Q9HC35 | 5/20 | 0.69 |
| ▸ | INSR | P06213 | 2/20 | 0.67 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.67 |
| ▸ | ROS1 | P08922 | 1/20 | 0.67 |
| ▸ | FER | P16591 | 1/20 | 0.67 |
| ▸ | LTK | P29376 | 1/20 | 0.67 |
| ▸ | BLK | P51451 | 1/20 | 0.67 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.67 |
| ▸ | BTK | Q06187 | 1/20 | 0.67 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.67 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.67 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.67 |
| ▸ | IGF1R | P08069 | 3/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL25005679 | 0.92 | EGFR (0.71) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL30942618 | 0.92 | EGFR (0.71) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL30223138 | 0.90 | EGFR (0.71) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL25449529 | 0.89 | EGFR (0.71) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL25005680 | 0.88 | EGFR (0.70) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL30223008 | 0.88 | EGFR (0.70) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL24178967 | 0.88 | EGFR (0.84) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL30223013 | 0.87 | EGFR (0.71) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL22819312 | 0.85 | EGFR (0.78) | EGFRALKEML4INSRERBB2 | |
| SCHEMBL25005180 | 0.85 | EGFR (0.80) | EGFRALKEML4INSRERBB2 |
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 |