Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 17/20 | 0.71 |
| ▸ | CCND1 | P24385 | 10/20 | 0.71 |
| ▸ | CDK6 | Q00534 | 6/20 | 0.66 |
| ▸ | CCND3 | P30281 | 5/20 | 0.66 |
| ▸ | CDK2 | P24941 | 3/20 | 0.66 |
| ▸ | GAK | O14976 | 1/20 | 0.66 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.66 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.66 |
| ▸ | FECH | P22830 | 1/20 | 0.66 |
| ▸ | CDK9 | P50750 | 1/20 | 0.66 |
| ▸ | CDK16 | Q00536 | 1/20 | 0.66 |
| ▸ | MAP3K1 | Q13233 | 1/20 | 0.66 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.66 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.66 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.66 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.66 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.66 |
| ▸ | CDK1 | P06493 | 3/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.62 |
| ▸ | CCND2 | P30279 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL28726012 | 0.97 | CDK4 (0.68) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL30176589 | 0.91 | CDK4 (0.81) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL303561 | 0.91 | CDK4 (0.81) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL29507498 | 0.90 | CDK4 (0.72) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL1989773 | 0.90 | CDK4 (0.80) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL29519634 | 0.90 | CDK4 (0.70) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL29507512 | 0.89 | CDK4 (0.64) | CDK4CCND1CDK6CCND3CDK2 | |
| Dimethylamine SCHEMBL28725987 | 0.88 | CDK4 (0.71) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL29507448 | 0.88 | CDK4 (0.73) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL29507453 | 0.88 | CDK4 (0.81) | CDK4CCND1CDK6CCND3CDK2 |
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 |