Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 6/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CLK1 | P49759 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13309399 | 0.90 | MAPK1 (0.45) | GSK3BPKMKDM4EALDH1A1HPGD | |
| SCHEMBL13893805 | 0.89 | GSK3B (0.48) | GSK3BPKMKDM4EALDH1A1HPGD | |
| SCHEMBL13309486 | 0.88 | KDM4E (0.56) | GSK3BPKMKDM4EALDH1A1HPGD | |
| SCHEMBL13309050 | 0.88 | ALDH1A1 (0.47) | GSK3BPKMKDM4EALDH1A1HPGD | |
| SCHEMBL13309179 | 0.87 | GSK3B (0.48) | GSK3BPKMKDM4EALDH1A1HPGD | |
| SCHEMBL11931057 | 0.87 | GSK3B (0.61) | GSK3BPKMKDM4EALDH1A1HPGD | |
| SCHEMBL13309119 | 0.86 | GSK3B (0.58) | GSK3BKDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL13308742 | 0.85 | GSK3B (0.54) | GSK3BPKMKDM4EALDH1A1HPGD | |
| SCHEMBL13309221 | 0.85 | KDM4E (0.44) | GSK3BPKMKDM4EALDH1A1HPGD | |
| SCHEMBL14528871 | 0.85 | KDM4E (0.43) | GSK3BPKMKDM4EALDH1A1HPGD |
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-1934224-B1 | PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER | SCHERING CORP (US) | 2010-06-09 | — | — | EP | disclosed |
| EP-1534712-B1 | PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORP (US) | 2007-05-16 | — | — | EP | disclosed |