Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.45 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.45 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | MERTK | Q12866 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25066882 | 1.00 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL30701096 | 0.82 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL15417083 | 0.80 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL19349591 | 0.79 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL12450000 | 0.78 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL24696638 | 0.77 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL24696685 | 0.77 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL23416981 | 0.77 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL29797892 | 0.77 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 | |
| SCHEMBL16881436 | 0.77 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1PIK3CAPIK3R1TNK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114727987-A | Substituted heterocyclic compounds having HIV therapeutic activity | 纽约血库公司 | 2022-07-08 | — | — | CN | disclosed |