Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.77 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.77 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.77 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.77 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.77 |
| ▸ | SLC18A2 | Q05940 | 19/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL22355942 | 1.00 | HTR1A (0.77) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL23612625 | 1.00 | HTR1A (0.77) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL22355798 | 0.89 | SLC18A2 (0.80) | SLC18A2 | |
| SCHEMBL30530382 | 0.89 | SLC18A2 (0.80) | SLC18A2 | |
| Valbenazine SCHEMBL15932979 | 0.87 | HTR1A (1.00) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| Valbenazine SCHEMBL23771726 | 0.87 | HTR1A (1.00) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| Valbenazine SCHEMBL17565511 | 0.87 | HTR1A (1.00) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| Valbenazine SCHEMBL19024486 | 0.87 | HTR1A (1.00) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| Valbenazine SCHEMBL23119371 | 0.87 | HTR1A (1.00) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| Valbenazine SCHEMBL871304 | 0.87 | HTR1A (1.00) | HTR1ATBXA2RPTGS1OPRM1KCNH2 |
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-3253752-B1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2023-08-16 | — | — | EP | disclosed |