Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9013796 | 1.00 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL11308480 | 0.92 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL19850828 | 0.88 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL11033780 | 0.88 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4MAPT | |
| SCHEMBL11033776 | 0.88 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4MAPT | |
| SCHEMBL9013745 | 0.85 | HTR2C (0.46) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL9013749 | 0.85 | HTR2C (0.46) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL9252449 | 0.85 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL9252436 | 0.85 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL9252441 | 0.85 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0568040-B1 | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORP (JP) | 1996-12-04 | — | — | EP | claimed |