Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.41 |
| ▸ | GRM5 | P41594 | 11/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 2/20 | 0.35 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCND3 | P30281 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15796518 | 1.00 | BACE1 (0.41) | BACE1GRM5PRMT5WDR77CCND1 | |
| SCHEMBL19332797 | 0.90 | BACE1 (0.43) | BACE1GRM5PRMT5WDR77ROCK1 | |
| SCHEMBL15795865 | 0.87 | PRF1 (0.41) | BACE1GRM5PRMT5WDR77ROCK1 | |
| SCHEMBL2041556 | 0.83 | GRM5 (0.47) | BACE1GRM5PRMT5WDR77ROCK1 | |
| SCHEMBL29421580 | 0.83 | GRM5 (0.47) | BACE1GRM5PRMT5WDR77ROCK1 | |
| SCHEMBL28980371 | 0.83 | ITGB3 (0.41) | BACE1GRM5PRMT5WDR77ROCK1 | |
| SCHEMBL27157771 | 0.82 | BACE1 (0.38) | BACE1GRM5PRMT5WDR77ROCK1 | |
| SCHEMBL30162918 | 0.82 | GRM5 (0.39) | BACE1GRM5PRMT5WDR77ROCK1 | |
| SCHEMBL29218274 | 0.82 | GRM5 (0.39) | BACE1GRM5PRMT5WDR77ROCK1 | |
| SCHEMBL28988087 | 0.82 | NOTUM (0.43) | BACE1ROCK1LPLLIPG |
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-113264920-B | CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof | 中国药科大学 | 2022-09-02 | — | — | CN | disclosed |