Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28994726 | 1.00 | ALDH1A1 (0.44) | ALDH1A1FGFR1HTR7UNGDRD2 | |
| SCHEMBL15861781 | 0.83 | ALDH1A1 (0.44) | ALDH1A1FGFR1HTR7UNGDRD2 | |
| SCHEMBL30286639 | 0.79 | ALDH1A1 (0.41) | ALDH1A1FGFR1HTR7UNGDRD2 | |
| SCHEMBL28994927 | 0.79 | ALDH1A1 (0.41) | ALDH1A1FGFR1HTR7UNGDRD2 | |
| SCHEMBL12661593 | 0.79 | HSD17B10 (0.44) | ALDH1A1FGFR1DRD2DRD1DRD4 | |
| SCHEMBL1893248 | 0.79 | HSD17B10 (0.44) | ALDH1A1FGFR1DRD2DRD1DRD4 | |
| SCHEMBL1443579 | 0.77 | TRIM24 (0.60) | ALDH1A1FGFR1HTR7SMN1; SMN2TRIM24 | |
| SCHEMBL29377692 | 0.77 | TRIM24 (0.60) | ALDH1A1FGFR1HTR7SMN1; SMN2TRIM24 | |
| SCHEMBL19464246 | 0.77 | ALOX5 (0.43) | ALDH1A1 | |
| SCHEMBL30286804 | 0.76 | ALDH1A1 (0.40) | ALDH1A1HTR7KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116075505-A | Opioid receptor agonist, preparation method and application thereof | 天地恒一制药股份有限公司 | 2023-05-05 | — | — | CN | disclosed |
| WO-2023030319-A1 | OPIOID RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 天地恒一制药股份有限公司 | 2023-03-09 | — | — | WO | disclosed |