Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 9/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22587922 | 0.87 | CACNA1G (0.51) | OPRL1OPRM1ENPP2CACNA1GCACNA1H | |
| SCHEMBL22605739 | 0.82 | CTSS (0.55) | CACNA1GCACNA1HHRH3CYP3A4CTSS | |
| SCHEMBL22605671 | 0.81 | HSD11B1 (0.48) | CACNA1GCACNA1HHRH3CTSSHSD11B1 | |
| SCHEMBL22587798 | 0.78 | CACNA1G (0.44) | CACNA1GCACNA1HHRH3CYP3A4CYP2D6 | |
| SCHEMBL8111309 | 0.75 | ALDH1A1 (0.57) | OPRL1OPRM1 | |
| SCHEMBL8103415 | 0.74 | OPRL1 (0.53) | OPRL1OPRM1CACNA1GCACNA1H | |
| SCHEMBL22587888 | 0.74 | TNKS (0.49) | HRH3HSD11B1 | |
| SCHEMBL30317157 | 0.74 | HSD11B1 (0.73) | OPRL1OPRM1CYP3A4CTSSHSD11B1 | |
| SCHEMBL22594434 | 0.74 | HSD11B1 (0.73) | OPRL1OPRM1CYP3A4CTSSHSD11B1 | |
| SCHEMBL22605659 | 0.73 | LMNA (0.47) | HRH3CTSSHSD11B1LIPE |
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-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |