Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 17/20 | 1.00 |
| ▸ | NTRK3 | Q16288 | 5/20 | 1.00 |
| ▸ | NTRK2 | Q16620 | 5/20 | 1.00 |
| ▸ | PLK4 | O00444 | 3/20 | 0.68 |
| ▸ | PAK4 | O96013 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL25819071 | 0.93 | NTRK1 (1.00) | NTRK1NTRK3NTRK2PLK4PAK4 | |
| SCHEMBL25819224 | 0.92 | NTRK1 (1.00) | NTRK1NTRK3NTRK2PLK4PAK4 | |
| SCHEMBL25819153 | 0.90 | NTRK1 (1.00) | NTRK1NTRK3NTRK2PLK4PAK4 | |
| SCHEMBL25819094 | 0.88 | NTRK1 (0.79) | NTRK1NTRK3NTRK2PLK4PAK4 | |
| SCHEMBL25818960 | 0.87 | NTRK1 (1.00) | NTRK1NTRK3NTRK2 | |
| SCHEMBL25819192 | 0.87 | NTRK1 (1.00) | NTRK1NTRK3NTRK2PLK4PAK4 | |
| SCHEMBL25819170 | 0.87 | NTRK1 (1.00) | NTRK1NTRK3NTRK2PLK4PAK4 | |
| SCHEMBL25819112 | 0.85 | NTRK1 (1.00) | NTRK1NTRK3NTRK2PLK4CYP1A2 | |
| SCHEMBL30482712 | 0.85 | NTRK1 (0.74) | NTRK1NTRK3NTRK2 | |
| SCHEMBL25819266 | 0.84 | NTRK1 (1.00) | NTRK1NTRK3NTRK2PLK4PAK4 |
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 |