Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CG | P48736 | 8/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 12/20 | 0.39 |
| ▸ | NTRK3 | Q16288 | 3/20 | 0.37 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29424906 | 0.77 | PIK3CG (0.39) | PIK3CGPIK3CAPIK3CDNTRK1 | |
| SCHEMBL23501318 | 0.77 | NTRK1 (0.42) | NTRK1NTRK3NTRK2 | |
| SCHEMBL23501317 | 0.77 | NTRK1 (0.42) | NTRK1NTRK3NTRK2 | |
| SCHEMBL27060300 | 0.77 | NTRK1 (0.47) | NTRK1NTRK3NTRK2 | |
| SCHEMBL23084134 | 0.75 | NTRK1 (0.55) | NTRK1NTRK3NTRK2 | |
| SCHEMBL18361533 | 0.73 | NTRK1 (0.46) | NTRK1NTRK3NTRK2 | |
| SCHEMBL27060297 | 0.73 | NTRK1 (0.44) | NTRK1NTRK3NTRK2 | |
| SCHEMBL22646943 | 0.71 | NTRK1 (0.49) | NTRK1NTRK3NTRK2 | |
| SCHEMBL27060212 | 0.70 | NTRK1 (0.48) | NTRK1NTRK3NTRK2 | |
| SCHEMBL25274124 | 0.69 | PIK3CD (0.32) | PIK3CGPIK3CAPIK3CDNTRK1 |
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 |