Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | INSR | P06213 | 20/20 | 0.85 |
| ▸ | ALK | Q9UM73 | 20/20 | 0.85 |
| ▸ | IGF1R | P08069 | 14/20 | 0.85 |
| ▸ | AURKA | O14965 | 2/20 | 0.85 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.85 |
| ▸ | PLK4 | O00444 | 1/20 | 0.85 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.85 |
| ▸ | JAK2 | O60674 | 1/20 | 0.85 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.85 |
| ▸ | ABL1 | P00519 | 1/20 | 0.85 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.85 |
| ▸ | PRKCG | P05129 | 1/20 | 0.85 |
| ▸ | LCK | P06239 | 1/20 | 0.85 |
| ▸ | FYN | P06241 | 1/20 | 0.85 |
| ▸ | CSF1R | P07333 | 1/20 | 0.85 |
| ▸ | LYN | P07948 | 1/20 | 0.85 |
| ▸ | RET | P07949 | 1/20 | 0.85 |
| ▸ | MET | P08581 | 1/20 | 0.85 |
| ▸ | ROS1 | P08922 | 1/20 | 0.85 |
| ▸ | KIT | P10721 | 1/20 | 0.85 |
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 | |
|---|---|---|---|---|
| SCHEMBL31391649 | 1.00 | INSR (0.85) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL31391727 | 0.94 | INSR (0.83) | INSRALKIGF1RAURKAAURKB | |
| Entrectinib SCHEMBL3512601 | 0.92 | INSR (1.00) | INSRALKIGF1RAURKAAURKB | |
| Entrectinib SCHEMBL29394152 | 0.92 | INSR (1.00) | INSRALKIGF1RAURKAAURKB | |
| Entrectinib SCHEMBL29358922 | 0.92 | INSR (1.00) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL3511865 | 0.89 | INSR (0.95) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL3511962 | 0.89 | INSR (0.89) | INSRALKIGF1RAURKAAURKB | |
| Entrectinib SCHEMBL21802358 | 0.89 | INSR (0.91) | INSRALKIGF1RAURKAAURKB | |
| Entrectinib SCHEMBL21802361 | 0.89 | INSR (0.85) | INSRALKIGF1RAURKAAURKB | |
| SCHEMBL31391753 | 0.88 | INSR (0.84) | INSRALKIGF1RAURKAAURKB |
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 |