Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8024951 | 0.91 | ESR2 (0.42) | ESR2PGRCYP17A1CYP11B2CYP3A4 | |
| SCHEMBL8024950 | 0.91 | ESR2 (0.42) | ESR2PGRCYP17A1CYP11B2CYP3A4 | |
| SCHEMBL8835221 | 0.86 | ESR2 (0.53) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10348022 | 0.84 | ESR2 (0.69) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8049985 | 0.82 | ESR2 (0.58) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14525326 | 0.81 | HSP90AA1 (0.46) | PGRCYP17A1CYP11B2CYP3A4HSP90AA1 | |
| SCHEMBL20803645 | 0.79 | KDM1A (0.48) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19415934 | 0.78 | KDM1A (0.37) | PGRCYP17A1CYP11B2CYP3A4P2RY14 | |
| SCHEMBL13628949 | 0.78 | ESR2 (0.52) | ESR2CYP3A4KDM1A | |
| SCHEMBL13345617 | 0.78 | KDM1A (0.37) | PGRCYP17A1CYP11B2CYP3A4P2RY14 |
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 |