Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | PDE10A | Q9Y233 | 8/20 | 0.45 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL899035 | 0.80 | NR1I2 (0.69) | NR1I2CYP3A4CYP2C9KCNH2PDE10A | |
| SCHEMBL898928 | 0.75 | NR1I2 (1.00) | NR1I2CYP3A4CYP2C9KCNH2PDE10A | |
| SCHEMBL17585434 | 0.73 | TLR7 (0.44) | CYP3A4PDE10A | |
| SCHEMBL902819 | 0.73 | NR1I2 (0.61) | NR1I2CYP3A4CYP2C9KCNH2PDE10A | |
| SCHEMBL744107 | 0.72 | PDE10A (0.50) | PDE10ACYSLTR1CYSLTR2GPBAR1 | |
| SCHEMBL10518603 | 0.70 | CYSLTR1 (0.51) | CYP3A4CYP2C9PDE10ACYSLTR1CYSLTR2 | |
| SCHEMBL6798820 | 0.69 | CYSLTR2 (0.53) | CYP3A4CYP2C9PDE10ACYSLTR1CYSLTR2 | |
| SCHEMBL8503996 | 0.68 | CYSLTR1 (0.50) | CYP3A4CYP2C9PDE10ACYSLTR1CYSLTR2 | |
| SCHEMBL2334595 | 0.68 | CYSLTR2 (0.52) | CYP3A4CYP2C9KCNH2PDE10ACYSLTR1 | |
| SCHEMBL8904769 | 0.67 | PDE10A (0.48) | CYP3A4CYP2C9PDE10ACYSLTR1CYSLTR2 |
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 |