Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 17/20 | 0.71 |
| ▸ | INSR | P06213 | 16/20 | 0.71 |
| ▸ | IGF1R | P08069 | 10/20 | 0.71 |
| ▸ | NTRK1 | P04629 | 6/20 | 0.62 |
| ▸ | AURKA | O14965 | 4/20 | 0.62 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.62 |
| ▸ | PLK4 | O00444 | 2/20 | 0.60 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.60 |
| ▸ | PRKCG | P05129 | 2/20 | 0.60 |
| ▸ | ROS1 | P08922 | 2/20 | 0.60 |
| ▸ | FER | P16591 | 2/20 | 0.60 |
| ▸ | LTK | P29376 | 2/20 | 0.60 |
| ▸ | FRK | P42685 | 2/20 | 0.60 |
| ▸ | MST1R | Q04912 | 2/20 | 0.60 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.60 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.60 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.60 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.60 |
| ▸ | WEE1 | P30291 | 1/20 | 0.60 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL31391690 | 1.00 | ALK (0.71) | ALKINSRIGF1RNTRK1AURKA | |
| SCHEMBL28999430 | 0.89 | ALK (0.59) | ALKINSRIGF1RNTRK1AURKA | |
| SCHEMBL31391681 | 0.85 | INSR (0.75) | ALKINSRIGF1RNTRK1AURKA | |
| SCHEMBL23901251 | 0.85 | INSR (0.75) | ALKINSRIGF1RNTRK1AURKA | |
| SCHEMBL3513178 | 0.83 | ALK (1.00) | ALKINSRIGF1RNTRK1AURKA | |
| Hydrochloric Acid SCHEMBL3511834 | 0.82 | ALK (0.98) | ALKINSRIGF1RNTRK1AURKA | |
| SCHEMBL3512913 | 0.82 | ALK (0.77) | ALKINSRIGF1RNTRK1AURKA | |
| SCHEMBL29763783 | 0.80 | ALK (0.72) | ALKINSRIGF1RNTRK1AURKA | |
| SCHEMBL3515047 | 0.80 | ALK (0.72) | ALKINSRIGF1RNTRK1AURKA | |
| SCHEMBL3512682 | 0.78 | ALK (0.70) | ALKINSRIGF1RNTRK1AURKA |
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 |