Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL8517310 | 1.00 | DRD2 (0.42) | DRD2ESR2CYP2C9LSSIDO1 | |
| SCHEMBL8517316 | 1.00 | DRD2 (0.42) | DRD2ESR2CYP2C9LSSIDO1 | |
| SCHEMBL8517317 | 1.00 | DRD2 (0.42) | DRD2ESR2CYP2C9LSSIDO1 | |
| SCHEMBL8517313 | 1.00 | DRD2 (0.42) | DRD2ESR2CYP2C9LSSIDO1 | |
| SCHEMBL9136626 | 0.96 | DRD2 (0.39) | DRD2ESR2CYP2C9LSSIDO1 | |
| SCHEMBL8963140 | 0.86 | ESR2 (0.41) | DRD2ESR2CYP2C9LSSIDO1 | |
| SCHEMBL8963133 | 0.86 | ESR2 (0.41) | DRD2ESR2CYP2C9LSSIDO1 | |
| SCHEMBL9179054 | 0.86 | DRD2 (0.41) | DRD2ESR2CYP2C9LSSMEN1 | |
| SCHEMBL8379736 | 0.86 | DRD2 (0.41) | DRD2ESR2CYP2C9LSSMEN1 | |
| SCHEMBL8379741 | 0.86 | DRD2 (0.41) | DRD2ESR2CYP2C9LSSMEN1 |
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 |