Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 16/20 | 0.64 |
| ▸ | CDK2 | P24941 | 2/20 | 0.60 |
| ▸ | CDK6 | Q00534 | 6/20 | 0.55 |
| ▸ | CDK1 | P06493 | 3/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CCND2 | P30279 | 1/20 | 0.48 |
| ▸ | CCND3 | P30281 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29507624 | 0.98 | CDK4 (0.64) | CDK4CDK2CDK6CDK1AURKA | |
| SCHEMBL30176576 | 0.90 | CDK4 (0.79) | CDK4CDK2CDK6CDK1CCND1 | |
| SCHEMBL302194 | 0.90 | CDK4 (0.79) | CDK4CDK2CDK6CDK1CCND1 | |
| Dimethylamine SCHEMBL28938639 | 0.89 | CDK4 (0.63) | CDK4CDK2CDK6CDK1AURKA | |
| Dimethylamine SCHEMBL27085314 | 0.88 | CDK4 (0.63) | CDK4CDK2CDK6CDK1AURKA | |
| Dimethylamine SCHEMBL28726075 | 0.88 | CDK4 (0.81) | CDK4CDK2CDK6CDK1CCND1 | |
| SCHEMBL29507417 | 0.86 | CDK4 (0.65) | CDK4CDK2CDK6CDK1AURKA | |
| SCHEMBL29507579 | 0.86 | CDK4 (0.64) | CDK4CDK2CDK6CDK1AURKA | |
| SCHEMBL29507570 | 0.85 | CDK4 (0.82) | CDK4CDK2CDK6CDK1CCND1 | |
| Dimethylamine SCHEMBL28726064 | 0.85 | CDK4 (0.65) | CDK4CDK2CDK6CDK1AURKA |
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-114245753-A | Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy | 江苏康宁杰瑞生物制药有限公司 | 2022-03-25 | — | — | CN | claimed |
| CN-114245753-A | Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy | 江苏康宁杰瑞生物制药有限公司 | 2022-03-25 | — | — | CN | disclosed |