Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.49 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30335600 | 1.00 | CD274 (0.49) | CD274PDCD1S1PR1S1PR3HTR1B | |
| SCHEMBL30394068 | 0.87 | HTR1B (0.43) | CD274HTR1BKDM4EGAAMAPT | |
| SCHEMBL19897937 | 0.87 | HTR1B (0.43) | CD274HTR1BKDM4EGAAMAPT | |
| SCHEMBL13117549 | 0.86 | CD274 (0.57) | CD274PDCD1S1PR1S1PR3HTR1B | |
| SCHEMBL30394884 | 0.80 | HTR1B (0.45) | HTR1BKDM4EGAAMAPTMEN1 | |
| SCHEMBL22807537 | 0.80 | MAPT (0.39) | CD274S1PR1HTR1BKDM4EGAA | |
| SCHEMBL28469003 | 0.80 | HTR1B (0.45) | HTR1BKDM4EGAAMAPTMEN1 | |
| SCHEMBL13117632 | 0.79 | PDCD1 (0.45) | CD274PDCD1S1PR1S1PR3CYP4F2 | |
| SCHEMBL22065486 | 0.79 | CYP2D6 (0.56) | CD274KDM4EMEN1KMT2A | |
| SCHEMBL21359619 | 0.78 | CD274 (0.55) | 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 |