Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL122883 | 0.80 | ACACB (0.45) | ACACBMAPTHDAC1HDAC2HDAC8 | |
| SCHEMBL24107099 | 0.79 | NR1H4 (0.44) | ACACBMAPTALDH1A1 | |
| SCHEMBL15473214 | 0.78 | SLC6A4 (0.44) | ALDH1A1 | |
| SCHEMBL14527898 | 0.76 | ACACB (0.37) | ACACBMAPTHDAC1HDAC2HDAC8 | |
| SCHEMBL31664426 | 0.76 | HRH3 (0.42) | ACACBMAPTHDAC1HDAC2HDAC8 | |
| SCHEMBL13943156 | 0.75 | NR1H4 (0.41) | ARACACBMAPTALDH1A1 | |
| SCHEMBL12521736 | 0.74 | ALDH1A3 (0.48) | ACACBMAPTALDH1A1 | |
| SCHEMBL20653219 | 0.74 | MAPT (0.38) | ACACBMAPTHDAC1HDAC2HDAC8 | |
| SCHEMBL13328218 | 0.73 | PSMB1 (0.47) | ALDH1A1 | |
| SCHEMBL27729576 | 0.73 | ACACB (0.50) | ACACBMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012145899-A1 | ESTER COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF | 上海医药工业研究院 (CN) | 2012-11-01 | — | — | WO | disclosed |