Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCK | P35557 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 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 | |
|---|---|---|---|---|
| SCHEMBL14727022 | 1.00 | GCK (0.35) | GCKGRIN2AGRIA2GRIN1PDE10A | |
| SCHEMBL14721510 | 0.72 | CXCR2 (0.39) | CXCR2 | |
| SCHEMBL14727023 | 0.72 | CXCR2 (0.39) | CXCR2 | |
| SCHEMBL14727019 | 0.72 | CXCR2 (0.39) | CXCR2 | |
| SCHEMBL29989564 | 0.71 | PDK2 (0.36) | — | |
| SCHEMBL15115413 | 0.69 | GCK (0.42) | GCKHTR2AHTR2CHTR2B | |
| SCHEMBL14958895 | 0.69 | GCK (0.42) | GCKHTR2AHTR2CHTR2B | |
| SCHEMBL15115445 | 0.69 | GCK (0.42) | GCKHTR2AHTR2CHTR2B | |
| SCHEMBL15115411 | 0.69 | GCK (0.42) | GCKHTR2AHTR2CHTR2B | |
| SCHEMBL14726808 | 0.69 | PDE10A (0.49) | PDE10A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2748151-A1 | PYRIMIDINE PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013028590-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |