Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 4/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.41 |
| ▸ | KCNN3 | Q9UGI6 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12953027 | 0.85 | PDE10A (0.56) | HSP90AA1HSP90AB1PDE10ACDK2CCNA2 | |
| SCHEMBL7846384 | 0.82 | CDK9 (0.55) | CDK2CCNA2CCNA1KCNN3CHEK1 | |
| SCHEMBL5451848 | 0.79 | CCNT1 (0.57) | HSP90AA1HSP90AB1KCNN3ADORA2ACCNT1 | |
| SCHEMBL5452156 | 0.78 | ALDH1A1 (0.56) | CDK2CCNA2CCNA1CHEK1ADORA2A | |
| SCHEMBL13289903 | 0.76 | GSK3B (0.48) | HSP90AA1HSP90AB1CDK2CCNA2CCNA1 | |
| SCHEMBL7845288 | 0.76 | KDM4E (0.48) | PDE10ACDK2CCNA2CCNA1CHEK1 | |
| SCHEMBL7846516 | 0.75 | RAD52 (0.51) | PDE10ACDK2CCNA2CCNA1KCNN3 | |
| SCHEMBL30974 | 0.74 | PDE10A (0.67) | PDE10ACDK2CCNA2CCNA1KCNN3 | |
| SCHEMBL12953457 | 0.73 | PDE10A (0.53) | PDE10AKCNN3NUDT1EGLN2KCNN1 | |
| SCHEMBL12954497 | 0.73 | GSK3B (0.67) | HSP90AA1HSP90AB1CDK2CCNA2CCNA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0714898-B1 | PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE | OTSUKA PHARMA CO LTD (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-5707997-A | ANALGESICS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1998-01-13 | — | — | US | disclosed |
| EP-0714898-A1 | PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1996-06-05 | — | — | EP | disclosed |