Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 12/20 | 0.43 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL10904855 | 1.00 | ESR2 (0.43) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10904854 | 1.00 | ESR2 (0.43) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10935701 | 1.00 | ESR2 (0.43) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10935713 | 1.00 | ESR2 (0.43) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10904852 | 1.00 | ESR2 (0.43) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10904861 | 1.00 | ESR2 (0.43) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11210601 | 0.94 | ESR2 (0.47) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11210597 | 0.94 | ESR2 (0.47) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8517252 | 0.92 | ESR2 (0.57) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL10778231 | 0.92 | ESR2 (0.38) | ESR2ESR1CYP2C9CYP3A4CYP2D6 |
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-0084974-B1 | CARBOCYCLIC COMPOUNDS WITH LIQUID-CRYSTAL PROPERTIES | Chisso Corporation (JP) | 1986-04-02 | — | — | EP | claimed |
| US-4477369-A | New high temperature liquid-crystalline substances consisting of 4 or 5 six-member-rings and liquid-crystalline compositions containing same | CHISSO CORPORATION (JP) | 1984-10-16 | — | — | US | claimed |
| EP-0084974-A1 | Carbocyclic compounds with liquid-crystal properties | Chisso Corporation (JP) | 1983-08-03 | — | — | EP | claimed |