Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 7/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL9254337 | 1.00 | ESR2 (0.41) | ESR2CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9254341 | 1.00 | ESR2 (0.41) | ESR2CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9251882 | 0.91 | ESR2 (0.39) | ESR2CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9251870 | 0.91 | ESR2 (0.39) | ESR2CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9251875 | 0.91 | ESR2 (0.39) | ESR2CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL6456288 | 0.88 | DGAT1 (0.33) | ESR2CYP2C9ALDH1A1DGAT1ESR1 | |
| SCHEMBL6456282 | 0.88 | DGAT1 (0.33) | ESR2CYP2C9ALDH1A1DGAT1ESR1 | |
| SCHEMBL21581465 | 0.85 | ESR2 (0.49) | ESR2CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9160317 | 0.85 | ESR2 (0.41) | ESR2CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9406495 | 0.85 | ESR2 (0.41) | ESR2CYP2C9ALDH1A1LMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5454974-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5302317-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| US-5013477-A | Alkenylbicyclohexane liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |