Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 10/20 | 0.70 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.70 |
| ▸ | CCNA1 | P78396 | 7/20 | 0.70 |
| ▸ | CDK1 | P06493 | 7/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.41 |
| ▸ | MGMT | P16455 | 3/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16464949 | 0.82 | CDK2 (1.00) | CDK2CCNA2CCNA1CDK1CCNB1 | |
| SCHEMBL21076821 | 0.81 | CDK2 (0.50) | CDK2CCNA2CCNA1CDK1CCNB1 | |
| SCHEMBL13485927 | 0.78 | CCNA2 (0.47) | CDK2CCNA2CCNA1CYP1A2 | |
| SCHEMBL10264115 | 0.77 | CCNA2 (0.46) | CDK2CCNA2CCNA1CYP1A2 | |
| SCHEMBL16828175 | 0.75 | CDK2 (0.81) | CDK2CCNA2CCNA1CDK1CCNB1 | |
| SCHEMBL7751146 | 0.74 | CDK2 (0.81) | CDK2CCNA2CCNA1CDK1CCNB1 | |
| SCHEMBL9383601 | 0.73 | CCNA2 (0.35) | CDK2CCNA2CCNA1MTORPLAU | |
| SCHEMBL10604745 | 0.71 | CCNA2 (0.34) | CDK2CCNA2CCNA1PLAUCYP1A2 | |
| SCHEMBL10401464 | 0.69 | CYP1A2 (0.50) | CDK2CCNA2CCNA1CYP1A2 | |
| SCHEMBL5765829 | 0.69 | CYP1A2 (0.39) | CDK2CCNA2CCNA1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2975026-A1 | Method of nitrosation of organic compound | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2016-01-20 | — | — | EP | disclosed |