Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.76 |
| ▸ | CCND1 | P24385 | 20/20 | 0.76 |
| ▸ | CCND2 | P30279 | 20/20 | 0.76 |
| ▸ | CCND3 | P30281 | 20/20 | 0.76 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.69 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.69 |
| ▸ | CDK1 | P06493 | 2/20 | 0.69 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.69 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.69 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.69 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.69 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.69 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.69 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.69 |
| ▸ | CDK2 | P24941 | 2/20 | 0.69 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.69 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.69 |
| ▸ | SRC | P12931 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL189662 | 0.87 | CDK4 (1.00) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL5263594 | 0.84 | CDK4 (1.00) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL5267204 | 0.84 | CDK4 (1.00) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL24669217 | 0.83 | CDK4 (0.59) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL24670364 | 0.82 | CCND1 (0.88) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL5263860 | 0.82 | CDK4 (1.00) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL24670203 | 0.81 | CDK4 (0.73) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL5265804 | 0.81 | CDK4 (0.74) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL4352697 | 0.81 | CDK4 (1.00) | CDK4CCND1CCND2CCND3CCNB2 | |
| SCHEMBL5263074 | 0.80 | CDK4 (1.00) | CDK4CCND1CCND2CCND3CCNB2 |
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-118571312-A | LCK inhibitor virtual screening method, device, equipment and storage medium based on deep learning | 河南省肿瘤医院 | 2024-08-30 | — | — | CN | disclosed |