Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 4/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 10/20 | 0.36 |
| ▸ | CDK7 | P50613 | 4/20 | 0.36 |
| ▸ | CDK13 | Q14004 | 2/20 | 0.36 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.35 |
| ▸ | CCNH | P51946 | 3/20 | 0.35 |
| ▸ | CDK4 | P11802 | 2/20 | 0.33 |
| ▸ | CCND1 | P24385 | 2/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK14 | O94921 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20974 | 0.80 | CHEK1 (0.59) | PDE10ACDK2CCNA2CCNA1CHEK1 | |
| SCHEMBL22064 | 0.72 | PDE10A (0.34) | PDE10ACDK2CCNA2CCNA1CHEK1 | |
| SCHEMBL47770 | 0.72 | PDE10A (0.49) | PDE10ACDK2CCNA2CCNA1CDK9 | |
| SCHEMBL11608751 | 0.70 | PRKAB2 (0.49) | PDE10ACDK2CCNA1CDK9CDK7 | |
| SCHEMBL21212195 | 0.69 | PDE10A (0.51) | PDE10ACDK2CCNA2CCNA1CHEK1 | |
| SCHEMBL14492447 | 0.68 | CDK2 (0.48) | PDE10ACDK2CCNE1HTR1DHTR3A | |
| SCHEMBL24965992 | 0.67 | PDE10A (0.38) | PDE10ACDK2CDK9CDK7HTR2C | |
| SCHEMBL21212591 | 0.66 | CDK2 (0.46) | PDE10ACDK2CCNA2CCNA1CHEK1 | |
| SCHEMBL7846641 | 0.66 | CHEK1 (0.68) | PDE10ACDK2CCNA2CCNA1CHEK1 | |
| SCHEMBL15576805 | 0.66 | GSK3B (0.47) | PDE10ACDK2CCNE1 |
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-2012027236-A1 | NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | SCHERING CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |