Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 6/20 | 0.45 |
| ▸ | CDK2 | P24941 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CDK7 | P50613 | 2/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CCNH | P51946 | 1/20 | 0.37 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.37 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13120123 | 0.91 | CDK2 (0.56) | GSK3BCDK2CYP3A4TSHRCCNE1 | |
| SCHEMBL13120042 | 0.89 | CDK2 (0.56) | GSK3BCDK2CYP3A4TSHRCCNE1 | |
| SCHEMBL13289193 | 0.86 | GSK3B (0.47) | GSK3BCDK2ALDH1A1HPGDMEN1 | |
| SCHEMBL13288688 | 0.86 | MAPT (0.45) | GSK3BCDK2ALDH1A1LMNAMEN1 | |
| SCHEMBL13120254 | 0.86 | CDK2 (0.58) | GSK3BCDK2CYP3A4TSHRCCNE1 | |
| SCHEMBL13288841 | 0.85 | GSK3B (0.47) | GSK3BCDK2ALDH1A1HPGDLMNA | |
| SCHEMBL14545258 | 0.81 | GSK3B (0.46) | GSK3BCDK2ALDH1A1HPGDMEN1 | |
| SCHEMBL13305640 | 0.81 | CDK2 (0.54) | GSK3BCDK2CYP3A4ALDH1A1HPGD | |
| SCHEMBL13289249 | 0.81 | GSK3B (0.46) | GSK3BCDK2ALDH1A1HPGDMEN1 | |
| SCHEMBL13119468 | 0.79 | CDK2 (0.66) | GSK3BCDK2CYP3A4ALDH1A1CCNE1 |
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-2194058-A1 | Pyrazolopyrimidines suitable for the treatment of cancer diseases | SCHERING CORPORATION (US) | 2010-06-09 | — | — | EP | disclosed |