Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 20/20 | 0.67 |
| ▸ | NTRK3 | Q16288 | 3/20 | 0.67 |
| ▸ | NTRK2 | Q16620 | 3/20 | 0.67 |
| ▸ | ROS1 | P08922 | 1/20 | 0.67 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.67 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL29692858 | 1.00 | NTRK1 (0.67) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL29692832 | 1.00 | NTRK1 (0.67) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL22013365 | 1.00 | NTRK1 (0.67) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL22013105 | 0.89 | NTRK1 (0.53) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL28605198 | 0.89 | NTRK1 (0.53) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL29692813 | 0.89 | NTRK1 (0.53) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL22013100 | 0.86 | NTRK1 (0.51) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL28596748 | 0.86 | NTRK1 (0.51) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL29692846 | 0.86 | NTRK1 (0.51) | NTRK1NTRK3NTRK2ROS1TNK2 | |
| SCHEMBL28362354 | 0.84 | NTRK1 (0.67) | NTRK1NTRK3NTRK2ROS1TNK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166141-B | Hexa-membered and hexa-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors | 上海轶诺药业有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-113166141-A | Hexa-membered and hexa-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors | 上海轶诺药业有限公司 | 2021-07-23 | — | — | CN | disclosed |