Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.35 |
| ▸ | KCNN3 | Q9UGI6 | 5/20 | 0.34 |
| ▸ | CDK9 | P50750 | 5/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CDK7 | P50613 | 2/20 | 0.33 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | CDK3 | Q00526 | 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 | |
|---|---|---|---|---|
| SCHEMBL12953878 | 0.83 | PDE10A (0.56) | PDE10APRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL17690933 | 0.81 | PRKAB2 (0.49) | PDE10APRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL21849280 | 0.77 | CCNT1 (0.51) | PDE10APRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL21849086 | 0.75 | KDM4E (0.42) | PDE10AKCNN3CDK9CDK2CCNT1 | |
| SCHEMBL13073900 | 0.74 | PDE10A (0.43) | PDE10AKCNN3CDK9CDK7CCNT1 | |
| SCHEMBL3460690 | 0.73 | PIK3CG (0.48) | PDE10APDE2AALDH1A1UBE2MDCUN1D1 | |
| SCHEMBL9300367 | 0.70 | PDE10A (0.43) | PDE10AKCNN3CDK9CDK7CCNT1 | |
| SCHEMBL20664459 | 0.70 | PDE10A (0.43) | PDE10APRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL29344715 | 0.70 | PDE10A (0.67) | PDE10AKCNN3CDK9CCNT1KCNN1 | |
| SCHEMBL21849245 | 0.70 | KDM4E (0.34) | PDE10AKCNN3 |
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-1931677-B1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-04-20 | — | — | EP | disclosed |