Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 5/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.32 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9479369 | 0.89 | CYP17A1 (0.35) | CYP3A4CYP17A1CYP11B2CYP11B1ESR2 | |
| SCHEMBL9479375 | 0.89 | CYP17A1 (0.35) | CYP3A4CYP17A1CYP11B2CYP11B1ESR2 | |
| SCHEMBL9479362 | 0.89 | CYP17A1 (0.35) | CYP3A4CYP17A1CYP11B2CYP11B1ESR2 | |
| SCHEMBL9479351 | 0.89 | CYP17A1 (0.35) | CYP3A4CYP17A1CYP11B2CYP11B1ESR2 | |
| SCHEMBL8379354 | 0.88 | FFAR4 (0.34) | CYP3A4CYP11B2CYP11B1ESR2CYP2C9 | |
| SCHEMBL8449373 | 0.86 | CYP17A1 (0.36) | CYP3A4CYP17A1CYP11B2CYP11B1ESR2 | |
| SCHEMBL9979963 | 0.85 | USP5 (0.36) | CYP3A4ESR2CYP2C9ESR1DGAT1 | |
| SCHEMBL9480895 | 0.85 | USP5 (0.36) | CYP3A4ESR2CYP2C9ESR1DGAT1 | |
| SCHEMBL8517975 | 0.85 | ESR2 (0.35) | ESR2CYP2C9CCR2 | |
| SCHEMBL8380302 | 0.85 | ACACB (0.36) | CYP3A4CYP17A1CYP11B2CYP11B1CYP2C9 |
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 |