Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK3 | P27361 | 10/20 | 0.68 |
| ▸ | EGFR | P00533 | 10/20 | 0.65 |
| ▸ | ALK | Q9UM73 | 5/20 | 0.65 |
| ▸ | EML4 | Q9HC35 | 3/20 | 0.65 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.63 |
| ▸ | INSR | P06213 | 1/20 | 0.63 |
| ▸ | ROS1 | P08922 | 1/20 | 0.63 |
| ▸ | FER | P16591 | 1/20 | 0.63 |
| ▸ | LTK | P29376 | 1/20 | 0.63 |
| ▸ | BLK | P51451 | 1/20 | 0.63 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.63 |
| ▸ | BTK | Q06187 | 1/20 | 0.63 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.63 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.63 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL23248547 | 0.90 | MAPK3 (0.71) | MAPK3EGFRALKEML4ERBB2 | |
| SCHEMBL22806866 | 0.89 | EGFR (0.81) | MAPK3EGFRALKEML4ERBB2 | |
| SCHEMBL29624087 | 0.89 | EGFR (0.81) | MAPK3EGFRALKEML4ERBB2 | |
| SCHEMBL19027413 | 0.88 | ALK (0.81) | EGFRALKEML4ERBB2INSR | |
| SCHEMBL27238046 | 0.87 | EGFR (0.66) | MAPK3EGFRALKROS1 | |
| SCHEMBL30223016 | 0.87 | EGFR (0.66) | MAPK3EGFRALKROS1 | |
| SCHEMBL13725659 | 0.87 | EGFR (0.81) | MAPK3EGFRALKEML4ERBB2 | |
| SCHEMBL16371493 | 0.86 | EGFR (0.80) | MAPK3EGFRALKEML4ERBB2 | |
| SCHEMBL13726022 | 0.86 | EGFR (0.70) | MAPK3EGFRALKEML4ERBB2 | |
| SCHEMBL16371188 | 0.86 | EGFR (0.68) | MAPK3EGFRALKEML4ERBB2 |
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 2 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 | 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 |