Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 19/20 | 0.79 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL899560 | 0.88 | PDE10A (1.00) | PDE10ANR1I2CYP3A4CYP2C9KCNH2 | |
| SCHEMBL897871 | 0.86 | PDE10A (1.00) | PDE10ANR1I2CYP3A4CYP2C9KCNH2 | |
| SCHEMBL10081819 | 0.71 | PDE10A (0.80) | PDE10ANR1I2CYP3A4CYP2C9KCNH2 | |
| SCHEMBL898928 | 0.70 | NR1I2 (1.00) | PDE10ANR1I2CYP3A4CYP2C9KCNH2 | |
| SCHEMBL10082427 | 0.69 | PDE10A (0.66) | PDE10ANR1I2CYP3A4CYP2C9KCNH2 | |
| SCHEMBL900187 | 0.69 | PDE10A (0.69) | PDE10ANR1I2CYP3A4CYP2C9KCNH2 | |
| SCHEMBL902945 | 0.68 | PDE10A (0.79) | PDE10ANR1I2CYP3A4CYP2C9KCNH2 | |
| SCHEMBL15032753 | 0.67 | PDE10A (1.00) | PDE10ANR1I2CYP3A4CYP2C9 | |
| SCHEMBL15036835 | 0.67 | PDE10A (1.00) | PDE10ANR1I2CYP3A4CYP2C9 | |
| SCHEMBL899458 | 0.67 | PDE10A (1.00) | PDE10ANR1I2CYP3A4CYP2C9 |
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-2012044561-A2 | 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |