Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.45 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13381947 | 0.84 | HDAC1 (0.48) | PDE10ACYP1A2CYSLTR1CYSLTR2NCF1 | |
| SCHEMBL27953062 | 0.84 | HDAC1 (0.48) | PDE10ACYP1A2CYSLTR1CYSLTR2NCF1 | |
| SCHEMBL7749585 | 0.81 | PDE10A (0.51) | PDE10ACYP1A2CYSLTR1CYSLTR2NCF1 | |
| SCHEMBL725176 | 0.81 | PDE10A (0.54) | PDE10ACYP1A2CYSLTR1CYSLTR2GPBAR1 | |
| SCHEMBL2913941 | 0.80 | PDE10A (0.61) | PDE10ACYP1A2CYSLTR1CYSLTR2NCF1 | |
| SCHEMBL29047068 | 0.79 | PDE10A (0.53) | PDE10ACYP1A2CYSLTR1CYSLTR2GPBAR1 | |
| Iodide SCHEMBL1343671 | 0.79 | PDE10A (0.53) | PDE10ACYP1A2CYSLTR1CYSLTR2GPBAR1 | |
| SCHEMBL5659096 | 0.79 | PDE10A (0.65) | PDE10ACYP1A2CYP2C9PKM | |
| SCHEMBL538491 | 0.78 | GPBAR1 (0.54) | PDE10ACYP1A2CYSLTR1CYSLTR2GPBAR1 | |
| SCHEMBL6583964 | 0.77 | PDE10A (0.50) | PDE10ACYP1A2CYSLTR1CYSLTR2NCF1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108003097-A | A kind of synthetic method of cinchocaine | 山东诚汇双达药业有限公司 | 2018-05-08 | — | — | CN | claimed |
| CN-108003097-A | A kind of synthetic method of cinchocaine | 山东诚汇双达药业有限公司 | 2018-05-08 | — | — | CN | disclosed |