Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963034 | 0.89 | DRD2 (0.43) | HDAC2DRD2HTR1AHTR2ADRD3 | |
| SCHEMBL8963241 | 0.86 | ESR2 (0.41) | HDAC2DRD2HTR1AHTR2ADRD3 | |
| SCHEMBL9300385 | 0.86 | ESR2 (0.41) | HDAC2DRD2HTR1AHTR2ADRD3 | |
| SCHEMBL8963014 | 0.86 | HDAC2 (0.45) | HDAC2MAOAMAOBESR2ESR1 | |
| SCHEMBL8963019 | 0.86 | HDAC2 (0.45) | HDAC2MAOAMAOBESR2ESR1 | |
| SCHEMBL8963054 | 0.85 | SLC18A3 (0.40) | HDAC2DRD2CYP2C9 | |
| SCHEMBL9507875 | 0.85 | HDAC2 (0.38) | HDAC2DRD2HTR1AHTR2ADRD3 | |
| SCHEMBL9507865 | 0.85 | HDAC2 (0.38) | HDAC2DRD2HTR1AHTR2ADRD3 | |
| SCHEMBL9507869 | 0.85 | HDAC2 (0.38) | HDAC2DRD2HTR1AHTR2ADRD3 | |
| SCHEMBL9540801 | 0.84 | DRD2 (0.40) | HDAC2DRD2HTR1AHTR2ADRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |