Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8517243 | 1.00 | ESR2 (0.40) | ESR2DRD2POLBHTR2ADRD3 | |
| SCHEMBL13832594 | 0.86 | POLB (0.44) | ESR2DRD2POLBC5AR1HTR3A | |
| SCHEMBL9628453 | 0.83 | POLB (0.43) | DRD2POLBC5AR1CYP2C9HTR3A | |
| SCHEMBL9136952 | 0.83 | POLB (0.43) | DRD2POLBC5AR1CYP2C9HTR3A | |
| SCHEMBL11893267 | 0.81 | CYP2C9 (0.51) | ESR2GPR119CYP2C9ESR1CYP3A4 | |
| SCHEMBL9251784 | 0.77 | ESR2 (0.46) | ESR2DRD2IDO1KDM1AMAOA | |
| SCHEMBL9251778 | 0.77 | ESR2 (0.46) | ESR2DRD2IDO1KDM1AMAOA | |
| SCHEMBL9251775 | 0.77 | ESR2 (0.46) | ESR2DRD2IDO1KDM1AMAOA | |
| SCHEMBL14403053 | 0.77 | ESR2 (0.42) | ESR2POLBESR1 | |
| SCHEMBL6784500 | 0.75 | ALDH1A1 (0.45) | POLBC5AR1CYP2C9CYP3A4ALDH1A1 |
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-0475273-B1 | Liquid crystal mixture containing halogenated alcenyl compounds | MERCK PATENT GMBH (DE) | 1999-04-07 | — | — | EP | disclosed |
| US-5292452-A | Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0475273-A1 | Halogenated alcenyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1992-03-18 | — | — | EP | disclosed |