Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 9/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16262449 | 0.94 | ALDH1A1 (0.48) | ALDH1A1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL31710152 | 0.85 | LMNA (0.48) | ALDH1A1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL5418830 | 0.85 | CCNB2 (0.44) | ALDH1A1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL31709563 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL409607 | 0.77 | CDK1 (0.54) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL31709387 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL31709866 | 0.76 | AKT2 (0.44) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL7479161 | 0.75 | MCL1 (0.47) | ALDH1A1MCL1 | |
| SCHEMBL13429972 | 0.74 | CCNB2 (0.42) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL8222044 | 0.73 | LMNA (0.39) | NR1H2NR1H3GABRG2GABRB3GABRA5 |
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-113543783-A | Kinase inhibitor compounds and compositions and methods of use | 西奈山伊坎医学院 | 2021-10-22 | — | — | CN | disclosed |
| CN-113508111-A | Kinase inhibitor compounds and compositions and methods of use | 西奈山伊坎医学院 | 2021-10-15 | — | — | CN | disclosed |