Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.69 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.69 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.54 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | USP1 | O94782 | 1/20 | 0.46 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11074941 | 1.00 | PDCD1 (0.69) | PDCD1CD274EPHX1MKNK1MKNK2 | |
| SCHEMBL22799749 | 0.87 | EPHX1 (0.51) | PDCD1CD274EPHX1KCNA5CYP2A6 | |
| SCHEMBL18367730 | 0.84 | CD274 (0.70) | PDCD1CD274EPHX1KCNA5KCNH2 | |
| SCHEMBL477395 | 0.82 | KCNA5 (0.61) | PDCD1CD274MKNK1MKNK2KCNA5 | |
| SCHEMBL21742825 | 0.82 | PTGS2 (0.54) | PDCD1CD274EPHX1KCNA5CYP2A6 | |
| SCHEMBL358303 | 0.82 | CD274 (1.00) | PDCD1CD274EPHX1ALDH1A1 | |
| SCHEMBL29558512 | 0.82 | CD274 (1.00) | PDCD1CD274EPHX1ALDH1A1 | |
| SCHEMBL28210679 | 0.80 | MKNK1 (0.49) | PDCD1CD274MKNK1MKNK2KCNA5 | |
| SCHEMBL20539304 | 0.80 | CD274 (0.58) | PDCD1CD274EPHX1CYP2A6CYP11B1 | |
| SCHEMBL18378751 | 0.79 | CYP2A6 (0.56) | MKNK1MKNK2CYP2A6CYP3A4CYP2E1 |
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-115611889-A | PD-L1 inhibitor and preparation method and application thereof | 上海华汇拓医药科技有限公司 | 2023-01-17 | — | — | CN | disclosed |