Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 16/20 | 1.00 |
| ▸ | PLK4 | O00444 | 2/20 | 0.70 |
| ▸ | PAK4 | O96013 | 2/20 | 0.70 |
| ▸ | AURKA | O14965 | 2/20 | 0.67 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.67 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.67 |
| ▸ | SRC | P12931 | 1/20 | 0.67 |
| ▸ | GSK3B | P49841 | 1/20 | 0.67 |
| ▸ | GRK6 | P43250 | 1/20 | 0.66 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL12430650 | 0.92 | NTRK1 (0.89) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL25818847 | 0.91 | NTRK1 (1.00) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL12430662 | 0.90 | NTRK1 (1.00) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL25818896 | 0.89 | NTRK1 (1.00) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL25818856 | 0.87 | NTRK1 (0.80) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL12430733 | 0.87 | AURKA (0.84) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL25818913 | 0.86 | NTRK1 (1.00) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL25818909 | 0.86 | NTRK1 (1.00) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL25818987 | 0.86 | NTRK1 (1.00) | NTRK1PLK4PAK4AURKANTRK3 | |
| SCHEMBL25818975 | 0.85 | NTRK1 (1.00) | NTRK1PLK4AURKANTRK3NTRK2 |
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-2023123883-A1 | METHOD FOR PREPARING QUINAZOLINE DERIVATIVE AND ANALOG THEREOF AND USE THEREOF | 沈阳药科大学 | 2023-07-06 | — | — | WO | disclosed |