Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 11/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 11/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL30522678 | 1.00 | PDCD1 (0.40) | PDCD1CD274KDM4EALDH1A1GAA | |
| SCHEMBL28483984 | 0.85 | P2RX7 (0.39) | PDCD1CD274 | |
| SCHEMBL30522688 | 0.80 | PARP1 (0.39) | MAPT | |
| SCHEMBL30522701 | 0.79 | PDCD1 (0.38) | PDCD1CD274 | |
| SCHEMBL20293196 | 0.70 | PDCD1 (0.74) | PDCD1CD274 | |
| SCHEMBL28475541 | 0.66 | PDCD1 (0.38) | PDCD1CD274CYP1A2CYP2D6 | |
| SCHEMBL23623958 | 0.64 | PDCD1 (0.59) | PDCD1CD274 | |
| SCHEMBL30703792 | 0.64 | PDCD1 (0.59) | PDCD1CD274 | |
| SCHEMBL23623984 | 0.63 | PDCD1 (0.58) | PDCD1CD274 | |
| SCHEMBL20326736 | 0.62 | PDCD1 (0.72) | PDCD1CD274 |
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-111925367-B | Fused ring derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-111925367-A | Fused ring derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-11-13 | — | — | CN | disclosed |