Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | NMBR | P28336 | 1/20 | 0.31 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28272377 | 0.83 | HSD11B1 (0.40) | HSD11B1TACR1OPRM1CHRM2CHRM4 | |
| SCHEMBL29024045 | 0.83 | OPRM1 (0.33) | HSD11B1OPRM1EPHX2CHRM2CHRM4 | |
| SCHEMBL29024060 | 0.80 | OPRM1 (0.34) | HSD11B1OPRM1EPHX2CHRM2CHRM4 | |
| SCHEMBL28270921 | 0.78 | OPRM1 (0.35) | OPRM1EPHX2CHRM2CHRM4CHRM5 | |
| SCHEMBL6984664 | 0.75 | TACR1 (0.61) | TACR1 | |
| SCHEMBL28869101 | 0.74 | CXCR3 (0.36) | OPRM1EPHX2CXCR3 | |
| SCHEMBL6984627 | 0.74 | TACR1 (0.47) | HSD11B1TACR1 | |
| SCHEMBL6984751 | 0.74 | TACR1 (0.47) | HSD11B1TACR1 | |
| SCHEMBL28868974 | 0.70 | OPRM1 (0.59) | OPRM1OPRD1OPRK1KCNH2SCN5A | |
| Hydrochloric Acid SCHEMBL28272465 | 0.69 | OPRM1 (0.59) | OPRM1OPRD1OPRK1KCNH2SCN5A |
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 |