Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31324785 | 1.00 | QDPR (0.41) | QDPRCHEK1ALDH1A1LMNAMAPT | |
| SCHEMBL520721 | 0.90 | QDPR (0.52) | QDPRALDH1A1LMNAMAPTNAMPT | |
| SCHEMBL30957987 | 0.90 | QDPR (0.52) | QDPRALDH1A1LMNAMAPTNAMPT | |
| SCHEMBL519881 | 0.82 | QDPR (0.43) | QDPRALDH1A1LMNAMAPTNAMPT | |
| SCHEMBL3316550 | 0.81 | GRM1 (0.51) | QDPRALDH1A1LMNAMAPTNAMPT | |
| SCHEMBL21847033 | 0.81 | CCNT1 (0.45) | QDPRALDH1A1LMNAMAPTNAMPT | |
| SCHEMBL14617535 | 0.81 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTNAMPTGRM5 | |
| SCHEMBL31111716 | 0.79 | MAPT (0.47) | ALDH1A1LMNAMAPTNAMPTGRM5 | |
| SCHEMBL17197336 | 0.79 | CCNT1 (0.46) | CHEK1ALDH1A1LMNAMAPTSIRT6 | |
| SCHEMBL15283571 | 0.79 | NAMPT (0.47) | QDPRNAMPTGRM5GRM1PDK4 |
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-116903591-A | Pyrimidine amine NUAK inhibitor and preparation method and application thereof | 特科罗生物科技(成都)有限公司 | 2023-10-20 | — | — | CN | disclosed |