Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 20/20 | 0.64 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | INSR | P06213 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30451203 | 0.83 | NTRK1 (0.66) | NTRK1AURKAINSRIGF1RAURKB | |
| SCHEMBL3510229 | 0.83 | NTRK1 (0.66) | NTRK1AURKAINSRIGF1RAURKB | |
| SCHEMBL29468189 | 0.77 | ITK (0.46) | AURKB | |
| SCHEMBL11904166 | 0.77 | ITK (0.46) | AURKB | |
| SCHEMBL31391692 | 0.76 | CYP1A2 (0.44) | NTRK1AURKB | |
| SCHEMBL28706641 | 0.73 | NTRK1 (0.56) | NTRK1AURKAAURKB | |
| SCHEMBL28691026 | 0.72 | NTRK1 (0.66) | NTRK1 | |
| SCHEMBL3510459 | 0.72 | NTRK1 (0.77) | NTRK1AURKAINSRIGF1RAURKB | |
| SCHEMBL3512493 | 0.72 | NTRK1 (0.52) | NTRK1AURKB | |
| SCHEMBL29415511 | 0.72 | NTRK1 (0.52) | NTRK1AURKB |
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-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |