Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 11/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.37 |
| ▸ | CDK9 | P50750 | 9/20 | 0.37 |
| ▸ | CDK4 | P11802 | 2/20 | 0.37 |
| ▸ | CCND1 | P24385 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 2/20 | 0.36 |
| ▸ | CCNH | P51946 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14973575 | 0.80 | PDE10A (1.00) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL902867 | 0.80 | PDE10A (1.00) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL903026 | 0.68 | PDE10A (0.63) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL10081818 | 0.66 | PDE10A (0.67) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL14974302 | 0.65 | PDE10A (1.00) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL14973824 | 0.65 | PDE10A (1.00) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL14973825 | 0.65 | PDE10A (1.00) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL14974282 | 0.64 | PDE10A (0.79) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL14973880 | 0.64 | PDE10A (0.79) | PDE10ANR1I2CYP2C9 | |
| SCHEMBL10086292 | 0.64 | PDE10A (0.79) | PDE10ANR1I2CYP2C9 |
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-2012044562-A2 | PYRAZOLOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |