Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963125 | 1.00 | DRD2 (0.43) | DRD2NPBWR1MCHR1GRM2ESR2 | |
| SCHEMBL8963192 | 0.91 | DRD2 (0.45) | DRD2NPBWR1MCHR1ALDH1A1MAPT | |
| SCHEMBL8963196 | 0.91 | DRD2 (0.45) | DRD2NPBWR1MCHR1ALDH1A1MAPT | |
| SCHEMBL8963003 | 0.87 | DRD2 (0.42) | DRD2NPBWR1MCHR1ESR2ALDH1A1 | |
| SCHEMBL8963326 | 0.87 | DRD2 (0.42) | DRD2NPBWR1MCHR1ALDH1A1MAPT | |
| SCHEMBL8962995 | 0.87 | DRD2 (0.42) | DRD2NPBWR1MCHR1ESR2ALDH1A1 | |
| SCHEMBL8963198 | 0.86 | CYP2C9 (0.37) | ESR2CYP2C9ALDH1A1MAPTESR1 | |
| SCHEMBL8963193 | 0.86 | CYP2C9 (0.37) | ESR2CYP2C9ALDH1A1MAPTESR1 | |
| SCHEMBL9480132 | 0.86 | DRD2 (0.43) | DRD2GRM2ESR2CHRM4HTR2A | |
| SCHEMBL9480120 | 0.86 | DRD2 (0.43) | DRD2GRM2ESR2CHRM4HTR2A |
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-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 |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |