Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.30 |
| ▸ | TYK2 | P29597 | 2/20 | 0.30 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12953645 | 0.85 | CDK2 (0.43) | ALDH1A1MAPTSMN1; SMN2MAP3K12 | |
| SCHEMBL13304791 | 0.81 | GSK3B (0.39) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL14043377 | 0.79 | PDE10A (0.51) | MAP3K12MALT1 | |
| SCHEMBL13117265 | 0.79 | PDE10A (0.51) | MAP3K12MALT1 | |
| SCHEMBL13304887 | 0.76 | CHEK1 (0.44) | — | |
| SCHEMBL12953608 | 0.76 | GSK3B (0.45) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL13304699 | 0.72 | KDM4E (0.31) | ALDH1A1MAPT | |
| SCHEMBL13146320 | 0.67 | GSK3B (0.68) | — | |
| SCHEMBL13305063 | 0.65 | PSD (0.40) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL12953240 | 0.65 | GSK3B (0.55) | ALDH1A1MAPTSMN1; SMN2 |
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-1537116-B1 | PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES | SCHERING CORP (US) | 2010-06-02 | — | — | EP | disclosed |