Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 5/20 | 0.54 |
| ▸ | CDK2 | P24941 | 5/20 | 0.54 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.50 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | ACACB | O00763 | 1/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6788185 | 0.87 | ALDH1A1 (0.56) | CCNA2CDK2CCNA1ALDH1A1CCNB2 | |
| SCHEMBL5727188 | 0.82 | ALDH1A1 (0.62) | CCNA2CDK2CCNA1ALDH1A1CCNB2 | |
| SCHEMBL5726769 | 0.82 | ALDH1A1 (0.62) | CCNA2CDK2CCNA1ALDH1A1CCNB2 | |
| SCHEMBL5726374 | 0.82 | ALDH1A1 (0.62) | CCNA2CDK2CCNA1ALDH1A1CCNB2 | |
| SCHEMBL16249198 | 0.82 | ALDH1A1 (0.51) | CCNA2CDK2CCNA1ALDH1A1CYP1A2 | |
| SCHEMBL7166322 | 0.81 | CYP2C9 (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL29758034 | 0.78 | HRH3 (0.41) | CCNA2CDK2CCNA1CCNB2CCNE2 | |
| SCHEMBL23040252 | 0.77 | ALDH1A1 (0.58) | CCNA2CDK2CCNA1ALDH1A1CCNB2 | |
| SCHEMBL14146899 | 0.77 | ALDH1A1 (0.54) | CCNA2CDK2CCNA1ALDH1A1CCNB2 | |
| SCHEMBL6236939 | 0.77 | ALDH1A1 (0.68) | ALDH1A1HPGDNPC1POLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1351938-A1 | PHENYL DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-10-15 | — | — | EP | claimed |
| WO-2002057236-A1 | PHENYL DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-07-25 | — | — | WO | claimed |