Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.32 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9311759 | 1.00 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3RIPK1HTR7 | |
| SCHEMBL9313677 | 0.92 | OPRL1 (0.36) | HSD11B1PANK3ESR2PTGIRPTGDR | |
| SCHEMBL8517594 | 0.92 | OPRL1 (0.36) | HSD11B1PANK3ESR2PTGIRPTGDR | |
| SCHEMBL28710880 | 0.87 | CYP2D6 (0.46) | SLC6A2SLC6A4SLC6A3HTR7KCNH2 | |
| SCHEMBL15517006 | 0.86 | SLC6A3 (0.42) | SLC6A2SLC6A4SLC6A3RIPK1HTR7 | |
| SCHEMBL6455890 | 0.86 | RIPK1 (0.32) | SLC6A2SLC6A4SLC6A3RIPK1HTR7 | |
| SCHEMBL6455888 | 0.86 | RIPK1 (0.32) | SLC6A2SLC6A4SLC6A3RIPK1HTR7 | |
| SCHEMBL4931479 | 0.85 | USP30 (0.38) | ESR2 | |
| SCHEMBL4931475 | 0.85 | USP30 (0.38) | ESR2 | |
| SCHEMBL8962617 | 0.83 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3RIPK1HTR7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0433836-B1 | Halophenyl substituted dioxanes | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5322638-A | Halophenyl substituted dioxanes | HOFFMANN-LA ROCHE INC. (US) | 1994-06-21 | — | — | US | disclosed |
| EP-0433836-A2 | Halophenyl substituted dioxanes | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |