Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 11/20 | 0.44 |
| ▸ | PDCD1LG2 | Q9BQ51 | 3/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 7/20 | 0.38 |
| ▸ | SYK | P43405 | 7/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30740137 | 0.89 | CCR5 (0.43) | CD274PDCD1LG2SYKCCR5 | |
| SCHEMBL20296354 | 0.89 | CCR5 (0.43) | CD274PDCD1LG2SYKCCR5 | |
| SCHEMBL20296352 | 0.89 | CCR5 (0.43) | CD274PDCD1LG2SYKCCR5 | |
| SCHEMBL28957010 | 0.82 | CD274 (0.36) | CD274PDCD1LG2PDCD1 | |
| SCHEMBL29225552 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL28868549 | 0.77 | CD274 (0.35) | CD274PDCD1LG2PDCD1 | |
| SCHEMBL28868545 | 0.76 | ALDH1A1 (0.44) | CD274PDCD1LG2SYK | |
| SCHEMBL28868541 | 0.76 | ALDH1A1 (0.44) | CD274PDCD1LG2SYK | |
| SCHEMBL28868539 | 0.72 | ALDH1A1 (0.45) | CD274PDCD1 | |
| SCHEMBL30021389 | 0.72 | CYP2D6 (0.49) | — |
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-115232109-A | PD-1/PD-L1 small molecule inhibitor and application thereof in medicines | 广东东阳光药业有限公司 | 2022-10-25 | — | — | CN | disclosed |