Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.53 |
| ▸ | XDH | P47989 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.47 |
| ▸ | CDK4 | P11802 | 2/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.47 |
| ▸ | CCND1 | P24385 | 2/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2126131 | 1.00 | NFE2L2 (0.53) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL11045503 | 1.00 | NFE2L2 (0.53) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL12651352 | 0.83 | XDH (0.50) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL22417964 | 0.82 | XDH (0.48) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL18255202 | 0.82 | XDH (0.48) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL31335285 | 0.82 | XDH (0.48) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL18345531 | 0.82 | XDH (0.48) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL21676224 | 0.82 | XDH (0.48) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL21676111 | 0.82 | VCP (0.57) | NFE2L2XDHALDH1A1KDM4EMAPT | |
| SCHEMBL14990172 | 0.82 | XDH (0.48) | NFE2L2XDHALDH1A1KDM4EMAPT |
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-116583525-A | Pyrazoloazepine AKT inhibitor | 南京正大天晴制药有限公司 | 2023-08-11 | — | — | CN | disclosed |