Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.73 |
| ▸ | HTR1A | P08908 | 1/20 | 0.65 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.65 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.65 |
| ▸ | SLC18A2 | Q05940 | 6/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL23001319 | 1.00 | KCNH2 (0.73) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL24520531 | 0.93 | KCNH2 (0.65) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL22579521 | 0.92 | HTR1A (0.75) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL24520518 | 0.91 | KCNH2 (0.62) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL24520522 | 0.89 | KCNH2 (0.66) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL24520517 | 0.89 | HTR1A (0.67) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL24520515 | 0.89 | HTR1A (0.67) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL23001293 | 0.88 | KCNH2 (0.85) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL23001243 | 0.88 | KCNH2 (0.85) | KCNH2HTR1ATBXA2RPTGS1OPRM1 | |
| SCHEMBL23117968 | 0.85 | HTR1A (0.77) | KCNH2HTR1ATBXA2RPTGS1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4015517-A1 | VMAT2 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shandong Luye Pharmaceutical Co., Ltd. (CN) | 2022-06-22 | — | — | EP | disclosed |