Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | TOP2A | P11388 | 1/20 | 0.45 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.44 |
| ▸ | GLS | O94925 | 2/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31160192 | 0.88 | SMN1; SMN2 (0.43) | SIRT2MGLL | |
| SCHEMBL31160327 | 0.87 | TOP2A (0.43) | SIRT2TOP2ATOP2BGLSACSS2 | |
| SCHEMBL14558984 | 0.84 | GLS (0.48) | GLSHDAC1SYK | |
| SCHEMBL2797957 | 0.83 | SIRT2 (0.50) | SIRT2TOP2ATOP2BAURKARPS6KB1 | |
| SCHEMBL31139283 | 0.83 | SIRT2 (0.50) | SIRT2TOP2ATOP2BAURKARPS6KB1 | |
| SCHEMBL28356003 | 0.83 | ACSS2 (0.42) | SIRT2TOP2ATOP2BAURKARPS6KB1 | |
| SCHEMBL30071251 | 0.81 | TOP2A (0.38) | SIRT2TOP2ATOP2BAURKARPS6KB1 | |
| Bromide SCHEMBL20494365 | 0.81 | TOP2A (0.37) | SIRT2TOP2ATOP2BAURKARPS6KB1 | |
| SCHEMBL30071195 | 0.80 | NAMPT (0.43) | TOP2ATOP2BGLSACSS2CYP17A1 | |
| SCHEMBL28356225 | 0.80 | NAMPT (0.43) | TOP2ATOP2BGLSACSS2CYP17A1 |
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-2024199069-A1 | POLYARYL-CONTAINING MACROCYCLIC COMPOUND AND USE THEREOF | 浙江养生堂天然药物研究所有限公司 | 2024-10-03 | — | — | WO | disclosed |