Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076776 | 1.00 | CASR (0.48) | CASRAOC3MEN1KMT2AHTT | |
| SCHEMBL18545738 | 0.87 | CASR (0.51) | CASRMEN1KMT2AHTTALDH1A1 | |
| SCHEMBL9326049 | 0.83 | CASR (0.57) | CASRMEN1KMT2AHTTMAPT | |
| SCHEMBL28285047 | 0.81 | AHR (0.42) | AOC3MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL28076778 | 0.81 | KMT2A (0.44) | AOC3MEN1KMT2AHTTMAPT | |
| Fenocinol SCHEMBL2110781 | 0.80 | CA12 (0.44) | MEN1KMT2AMAPTALDH1A1GAA | |
| SCHEMBL13750383 | 0.80 | ALDH1A1 (0.49) | MEN1KMT2AHTTMAPTALDH1A1 | |
| SCHEMBL28076980 | 0.80 | CA4 (0.52) | AOC3MEN1KMT2AHTTCA4 | |
| SCHEMBL9906174 | 0.80 | CA4 (0.52) | AOC3MEN1KMT2AHTTCA4 | |
| SCHEMBL7128923 | 0.79 | CA1 (0.55) | AOC3MEN1KMT2AMAPTALDH1A1 |
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-105732249-A | Synthesis method of aryl alcohol compound and Escitalopram | 中国科学院上海有机化学研究所 | 2016-07-06 | — | — | CN | disclosed |