Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | CASP1 | P29466 | 4/20 | 0.38 |
| ▸ | CASP7 | P55210 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14547313 | 0.83 | CDK2 (0.37) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL14547315 | 0.75 | GSK3B (0.48) | GSK3BCDK2CHEK1CCNA2CCNA1 | |
| SCHEMBL14492458 | 0.74 | GSK3B (0.52) | GSK3BKDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL13998534 | 0.72 | GSK3B (0.65) | GSK3BKDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL13993127 | 0.72 | CHEK1 (0.63) | GSK3BKDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL14043300 | 0.72 | GSK3B (0.55) | GSK3BKDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL11931135 | 0.70 | GSK3B (0.61) | GSK3BKDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL13998503 | 0.70 | GSK3B (0.70) | GSK3BCDK2CCNE1 | |
| SCHEMBL12953212 | 0.70 | GSK3B (0.58) | GSK3BKDM4EALDH1A1HPGDCASP1 | |
| SCHEMBL13885054 | 0.69 | GSK3B (0.67) | GSK3BKDM4EALDH1A1HPGDCASP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007044401-A2 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2007-04-19 | — | — | WO | disclosed |