Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 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 | |
|---|---|---|---|---|
| SCHEMBL28204453 | 0.88 | TDP1 (0.45) | CDK2TDP1CDK1CDK4CCNA2 | |
| SCHEMBL31124846 | 0.81 | CDK2 (0.43) | CDK2TDP1CDK1CDK4CCNA2 | |
| SCHEMBL20671503 | 0.77 | TDP1 (0.31) | CDK2TDP1CDK1CDK4 | |
| SCHEMBL21158500 | 0.75 | CDK2 (0.53) | CDK2TDP1CDK1CDK4CCNA2 | |
| SCHEMBL22632213 | 0.73 | CDK2 (0.41) | CDK2CDK1CDK4CCNA2CCNA1 | |
| SCHEMBL12069183 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL4572376 | 0.69 | CDK1 (0.66) | CDK2CDK1CDK4 | |
| SCHEMBL12602353 | 0.68 | PDK2 (0.31) | TDP1 | |
| Nitrous Acid SCHEMBL29150450 | 0.67 | TDP1 (0.59) | TDP1 | |
| SCHEMBL15500414 | 0.66 | CDK2 (0.37) | CDK2CDK1CDK4CCNA2CCNA1 |
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-106279150-B | Thick cyclics of pyridine and its production and use | 中国人民解放军军事医学科学院毒物药物研究所 | 2018-02-09 | — | — | CN | disclosed |