Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 6/20 | 0.72 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.71 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.62 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | PLD2 | O14939 | 1/20 | 0.54 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.53 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.53 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL22605759 | 0.91 | ALDH1A1 (0.63) | OPRM1HSD11B1OPRK1DRD2CHRM1 | |
| SCHEMBL29518448 | 0.89 | OPRM1 (0.71) | OPRM1HSD11B1OPRK1DRD2DRD4 | |
| SCHEMBL22605511 | 0.89 | OPRM1 (0.71) | OPRM1HSD11B1OPRK1DRD2DRD4 | |
| SCHEMBL22588021 | 0.86 | OPRK1 (0.67) | OPRM1HSD11B1OPRK1CHRM1CHRM2 | |
| SCHEMBL31285930 | 0.84 | CYP3A4 (0.61) | OPRM1HSD11B1OPRK1CHRM1CHRM2 | |
| SCHEMBL22587788 | 0.84 | CYP3A4 (0.61) | OPRM1HSD11B1OPRK1CHRM1CHRM2 | |
| SCHEMBL22587732 | 0.83 | HSD11B1 (0.71) | OPRM1HSD11B1OPRK1CHRM1CHRM2 | |
| SCHEMBL22594455 | 0.82 | OPRM1 (0.69) | OPRM1HSD11B1OPRK1CHRM1CHRM2 | |
| SCHEMBL31285984 | 0.82 | OPRM1 (0.69) | OPRM1HSD11B1OPRK1CHRM1CHRM2 | |
| SCHEMBL22605753 | 0.81 | OPRK1 (0.73) | OPRM1HSD11B1OPRK1DRD2DRD4 |
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 |