Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8938947 | 0.99 | ESR2 (0.34) | ESR2CTSLCTSSCTSKCYP3A4 | |
| SCHEMBL8938842 | 0.96 | ESR2 (0.35) | ESR2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8938830 | 0.96 | ESR2 (0.35) | ESR2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9419260 | 0.95 | CTSL (0.34) | ESR2CTSLCTSSCTSK | |
| SCHEMBL8938959 | 0.94 | ESR2 (0.34) | ESR2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8938955 | 0.94 | ESR2 (0.34) | ESR2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8938948 | 0.94 | ESR2 (0.34) | ESR2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8938874 | 0.94 | ESR2 (0.34) | ESR2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8938956 | 0.94 | ESR2 (0.34) | ESR2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8938963 | 0.94 | ESR2 (0.34) | ESR2CYP3A4CYP2C8CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |