Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 10/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 10/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28868650 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP2C19SMN1; SMN2PDCD1CD274 | |
| SCHEMBL28868582 | 0.96 | SMN1; SMN2 (0.50) | CYP1A2CYP2C19SMN1; SMN2PDCD1CD274 | |
| SCHEMBL28957070 | 0.83 | CD274 (0.47) | SMN1; SMN2PDCD1CD274 | |
| SCHEMBL28868545 | 0.76 | ALDH1A1 (0.44) | CD274 | |
| SCHEMBL28868541 | 0.76 | ALDH1A1 (0.44) | CD274 | |
| SCHEMBL22684472 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2C19SMN1; SMN2PDCD1CD274 | |
| SCHEMBL22684416 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2C19SMN1; SMN2PDCD1CD274 | |
| SCHEMBL2034260 | 0.74 | SMN1; SMN2 (0.61) | CYP1A2CYP2C19SMN1; SMN2PDCD1CD274 | |
| SCHEMBL1817739 | 0.74 | SMN1; SMN2 (0.61) | CYP1A2CYP2C19SMN1; SMN2PDCD1CD274 | |
| SCHEMBL29350977 | 0.74 | SMN1; SMN2 (0.61) | CYP1A2CYP2C19SMN1; SMN2PDCD1CD274 |
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 |