Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29225552 | 0.77 | ALDH1A1 (0.45) | ALDH1A1KDM4EATMPOLBCYP1A2 | |
| SCHEMBL28868663 | 0.75 | CD274 (0.45) | PDCD1CD274 | |
| SCHEMBL28868624 | 0.75 | CD274 (0.45) | PDCD1CD274 | |
| SCHEMBL15206491 | 0.74 | KDM5C (0.49) | ALDH1A1KDM4EKMT2AATMPDCD1 | |
| SCHEMBL22445634 | 0.71 | KDM4E (0.55) | ALDH1A1KDM4EKMT2AATMGRM2 | |
| SCHEMBL28868640 | 0.71 | CD274 (0.44) | PDCD1CD274 | |
| SCHEMBL17513334 | 0.71 | SIGMAR1 (0.51) | ALDH1A1KDM4EKMT2AATMPOLB | |
| SCHEMBL15206345 | 0.70 | KMT2A (0.40) | ALDH1A1KDM4EKMT2AATMPDCD1 | |
| SCHEMBL14875655 | 0.70 | AOC1 (0.42) | ALDH1A1KDM4EKMT2AATMPDCD1 | |
| SCHEMBL1427302 | 0.70 | ALDH1A1 (0.47) | ALDH1A1KDM4EKMT2AATMPOLB |
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 |