Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 15/20 | 0.55 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.55 |
| ▸ | MAOA | P21397 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30335423 | 1.00 | CD274 (0.55) | CD274PDCD1MAOAMAOBBACE1 | |
| SCHEMBL18728146 | 0.88 | CD274 (0.56) | CD274PDCD1BACE1S1PR1S1PR3 | |
| SCHEMBL30335600 | 0.78 | CD274 (0.49) | CD274PDCD1S1PR1S1PR3 | |
| SCHEMBL21359629 | 0.78 | CD274 (0.49) | CD274PDCD1S1PR1S1PR3 | |
| SCHEMBL18729221 | 0.77 | CD274 (0.63) | CD274PDCD1BACE1 | |
| SCHEMBL22757791 | 0.76 | CD274 (0.57) | CD274PDCD1MAOB | |
| SCHEMBL18728074 | 0.75 | CD274 (0.54) | CD274PDCD1S1PR1S1PR3 | |
| SCHEMBL358303 | 0.73 | CD274 (1.00) | CD274PDCD1 | |
| SCHEMBL29558512 | 0.73 | CD274 (1.00) | CD274PDCD1 | |
| SCHEMBL13825254 | 0.72 | CD274 (0.66) | CD274PDCD1S1PR1S1PR3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111788193-A | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业有限公司 | 2020-10-16 | — | — | CN | disclosed |
| WO-2019174533-A1 | SMALL MOLECULE PD-1/PD-L1 INHIBITOR AND USE THEREOF IN DRUGS | 广东东阳光药业有限公司 | 2019-09-19 | — | — | WO | disclosed |