Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 7/20 | 0.51 |
| ▸ | ROS1 | P08922 | 5/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.49 |
| ▸ | GSK3A | P49840 | 1/20 | 0.49 |
| ▸ | MAPK15 | Q8TD08 | 1/20 | 0.49 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 10/20 | 0.48 |
| ▸ | ULK1 | O75385 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL26906479 | 1.00 | ALK (0.51) | ALKROS1LRRK2GSK3AMAPK15 | |
| SCHEMBL26906513 | 0.93 | ROS1 (0.56) | ALKROS1LRRK2GSK3AMAPK15 | |
| SCHEMBL29904656 | 0.93 | ROS1 (0.56) | ALKROS1LRRK2GSK3AMAPK15 | |
| SCHEMBL26906735 | 0.92 | ALK (0.58) | ALKROS1EGFR | |
| SCHEMBL29904688 | 0.92 | ROS1 (0.56) | ALKROS1LRRK2GSK3AMAPK15 | |
| SCHEMBL26906877 | 0.92 | ROS1 (0.56) | ALKROS1LRRK2GSK3AMAPK15 | |
| SCHEMBL26906691 | 0.91 | ROS1 (0.58) | ALKROS1EGFR | |
| SCHEMBL29114881 | 0.87 | LRRK2 (0.46) | ALKROS1LRRK2GSK3AMAPK15 | |
| SCHEMBL29904685 | 0.85 | ALK (0.56) | ALKROS1LRRK2GSK3AMAPK15 | |
| SCHEMBL26906788 | 0.85 | ALK (0.56) | ALKROS1LRRK2GSK3AMAPK15 |
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-2022211573-A1 | PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 테라펙스 | 2022-10-06 | — | — | WO | claimed |
| WO-2022211573-A1 | PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 테라펙스 | 2022-10-06 | — | — | WO | disclosed |