Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076991 | 1.00 | NFE2L2 (0.52) | NFE2L2MAOAMAOBHSD11B1AOC3 | |
| SCHEMBL7128923 | 0.89 | CA1 (0.55) | HSD11B1AOC3CA12CA1CA2 | |
| SCHEMBL13096611 | 0.86 | RAB9A (0.53) | NFE2L2MAOAMAOBHSD11B1AOC3 | |
| SCHEMBL11024025 | 0.85 | KMT2A (0.56) | HSD11B1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28076793 | 0.84 | AHR (0.55) | MAOBHSD11B1AOC3RAB9ACA12 | |
| SCHEMBL28076792 | 0.84 | AHR (0.55) | MAOBHSD11B1AOC3RAB9ACA12 | |
| SCHEMBL7374925 | 0.83 | NFE2L2 (0.55) | NFE2L2MAOAMAOBHSD11B1AOC3 | |
| SCHEMBL18745578 | 0.83 | NFE2L2 (0.55) | NFE2L2MAOAMAOBHSD11B1AOC3 | |
| SCHEMBL13096609 | 0.83 | NFE2L2 (0.55) | NFE2L2MAOAMAOBHSD11B1AOC3 | |
| SCHEMBL9906174 | 0.82 | CA4 (0.52) | AOC3CA12CA1CA2CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732249-B | Aryl alcohol compound and escitalopram synthetic method | 中国科学院上海有机化学研究所 | 2019-03-15 | — | — | CN | disclosed |
| 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 |