Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 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 | |
|---|---|---|---|---|
| SCHEMBL15422804 | 0.73 | ESR1 (0.35) | ESR1CYP3A4CYP2C9ESR2GBA1 | |
| SCHEMBL2758408 | 0.70 | HTR2C (0.35) | ESR1CYP3A4CYP2C9ESR2 | |
| SCHEMBL12890958 | 0.67 | MAOA (0.36) | ESR1CYP3A4CYP2C9ESR2GBA1 | |
| SCHEMBL5527739 | 0.66 | GBA1 (0.64) | GBA1 | |
| SCHEMBL12404102 | 0.66 | GBA1 (0.64) | GBA1 | |
| SCHEMBL5527735 | 0.66 | GBA1 (0.64) | GBA1 | |
| SCHEMBL14570581 | 0.62 | ACHE (0.46) | CYP3A4GBA1 | |
| SCHEMBL1047527 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL2327331 | 0.62 | TRPA1 (0.31) | — | |
| SCHEMBL2166488 | 0.62 | ALDH1A1 (0.54) | CYP3A4GBA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103443104-A | Ortho ester derivative, liquid crystal composition, and liquid crystal display element | JNC CORP | 2013-12-11 | — | — | CN | disclosed |