Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 4/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL8436419 | 0.83 | CHEK1 (0.39) | KDM1A | |
| SCHEMBL14403054 | 0.83 | ESR2 (0.44) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8038495 | 0.81 | CYP17A1 (0.34) | SLC6A3 | |
| SCHEMBL2859850 | 0.80 | HTR2C (0.38) | HTR2AHTR2CHTR2BHCRTR2KDM1A | |
| SCHEMBL15420106 | 0.79 | HCRTR2 (0.31) | ESR2HCRTR2 | |
| SCHEMBL15195708 | 0.77 | ESR2 (0.42) | HTR2AHTR2CHTR2BESR2 | |
| SCHEMBL7027963 | 0.76 | KDM5A (0.34) | ESR2 | |
| SCHEMBL7108303 | 0.76 | KDM5A (0.32) | ESR2 | |
| SCHEMBL7108299 | 0.76 | KDM5A (0.32) | ESR2 | |
| SCHEMBL12228201 | 0.76 | — | — |
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 |