Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | BAD | Q92934 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28222960 | 0.82 | STS (0.49) | STSCYP2B6CD274CA12CA2 | |
| SCHEMBL13072315 | 0.82 | STS (0.45) | STSCYP2B6NPC1RAB9A | |
| SCHEMBL22096140 | 0.78 | STS (0.42) | STS | |
| SCHEMBL6956052 | 0.77 | STS (0.44) | STSCYP2D6 | |
| SCHEMBL6956048 | 0.77 | STS (0.45) | STS | |
| SCHEMBL30779639 | 0.76 | STS (0.57) | STSCYP2B6CA2CA5ACA7 | |
| SCHEMBL29771885 | 0.76 | STS (0.49) | STSCYP3A4CYP2B6CA12CA2 | |
| SCHEMBL547263 | 0.76 | STS (0.49) | STSCYP3A4CYP2B6CA12CA2 | |
| SCHEMBL5534601 | 0.74 | STS (0.40) | STS | |
| SCHEMBL27629608 | 0.74 | STS (0.46) | STSCYP3A4CYP2B6CA9 |
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-115521325-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-12-27 | — | — | CN | disclosed |