Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 20/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 10/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 8/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23501317 | 1.00 | NTRK1 (0.42) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL23516539 | 0.91 | NTRK1 (0.38) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL23084134 | 0.79 | NTRK1 (0.55) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL23500998 | 0.78 | NTRK1 (0.35) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL29989796 | 0.78 | NTRK1 (0.38) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL23501036 | 0.77 | PIK3CG (0.41) | NTRK1NTRK3NTRK2 | |
| SCHEMBL29424948 | 0.77 | PIK3CG (0.38) | — | |
| SCHEMBL18361533 | 0.77 | NTRK1 (0.46) | NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL27060300 | 0.76 | NTRK1 (0.47) | NTRK1NTRK3NTRK2 | |
| SCHEMBL23516649 | 0.74 | NTRK1 (0.45) | NTRK1NTRK3NTRK2JAK2 |
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-2021115401-A1 | FLUORINE-CONTAINING HETEROCYCLIC DERIVATIVES WITH MACROCYCLIC STRUCTURE AND USE THEREOF | 成都倍特药业股份有限公司 | 2021-06-17 | — | — | WO | disclosed |