Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 8/20 | 0.41 |
| ▸ | CDK7 | P50613 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.41 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 7/20 | 0.39 |
| ▸ | CCNH | P51946 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19288405 | 0.81 | PDE10A (0.47) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL19288428 | 0.79 | PRKAB2 (0.48) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL19288581 | 0.71 | PDE10A (0.73) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL26869434 | 0.67 | CDK9 (0.47) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL14974476 | 0.62 | PDE10A (0.44) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL901395 | 0.62 | PDE10A (0.44) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL23959016 | 0.61 | CDK9 (0.73) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL25477378 | 0.60 | CDK9 (0.68) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL19527036 | 0.60 | CDK9 (0.65) | CDK9CDK7CDK2CDK13CDK12 | |
| SCHEMBL26871374 | 0.60 | CDK9 (0.57) | CDK9CDK7CDK2CDK13CDK12 |
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-2621926-B1 | PYRAZOLOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2017-08-30 | — | — | EP | disclosed |