Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 15/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29968052 | 1.00 | OPRM1 (0.57) | OPRM1CYP2D6CYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL28272306 | 0.99 | OPRM1 (0.56) | OPRM1CYP2D6CYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL29968182 | 0.99 | OPRM1 (0.56) | OPRM1CYP2D6CYP3A4CYP2C19KCNH2 | |
| SCHEMBL28272393 | 0.88 | OPRM1 (0.55) | OPRM1CYP2D6CYP3A4CYP2C19KCNH2 | |
| SCHEMBL29967809 | 0.88 | OPRM1 (0.55) | OPRM1CYP2D6CYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL29967935 | 0.88 | OPRM1 (0.54) | OPRM1CYP2D6CYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL28868980 | 0.88 | OPRM1 (0.54) | OPRM1CYP2D6CYP3A4CYP2C19KCNH2 | |
| SCHEMBL28270858 | 0.76 | OPRM1 (0.61) | OPRM1CYP2D6CYP3A4KCNH2 | |
| SCHEMBL25006060 | 0.75 | OPRM1 (0.72) | OPRM1CYP2D6CYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL28272360 | 0.75 | OPRM1 (0.61) | OPRM1CYP2D6CYP3A4KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109206417-B | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-115124520-A | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-109206417-A | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2019-01-15 | — | — | CN | disclosed |