Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28523148 | 0.91 | CES2 (0.47) | NFE2L2HPGDMAPTALDH1A1NPC1 | |
| SCHEMBL28516841 | 0.85 | ACHE (0.52) | HPGDMAOAMAOBMAPTKMT2A | |
| SCHEMBL28516837 | 0.83 | MAPT (0.54) | L3MBTL1MAOAMAOBMAPTKMT2A | |
| SCHEMBL28523005 | 0.83 | HPGD (0.54) | L3MBTL1HPGDMAOAMAOBMAPT | |
| SCHEMBL28522680 | 0.83 | CYP1A1 (0.48) | MAOBMAPTTP53LMNA | |
| SCHEMBL28528084 | 0.80 | MTNR1A (0.53) | KMT2ATP53CES2CES1 | |
| SCHEMBL28530756 | 0.78 | PTGES (0.43) | HPGDMAOBMAPTKMT2AALDH1A1 | |
| SCHEMBL28522876 | 0.78 | CYP1A2 (0.47) | NFE2L2L3MBTL1HPGDMAPTKMT2A | |
| Acetic Acid SCHEMBL27597246 | 0.78 | NFE2L2 (0.57) | NFE2L2HPGDMAOAMAOBMAPT | |
| SCHEMBL5315078 | 0.77 | CES2 (0.47) | NFE2L2HPGDMAPTALDH1A1NPC1 |
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-112279743-B | Synthesis method of chiral alpha-amino acid ester derivative | 中国科学院大连化学物理研究所 | 2022-10-18 | — | — | CN | disclosed |
| CN-112279743-A | Synthesis method of chiral alpha-amino acid ester derivative | 中国科学院大连化学物理研究所 | 2021-01-29 | — | — | CN | disclosed |