Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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) | HPGDALDH1A1TP53MAPTNPC1 | |
| SCHEMBL28907335 | 0.85 | BCL2A1 (0.50) | HPGDALDH1A1BCL2A1TP53MEN1 | |
| SCHEMBL28516841 | 0.85 | ACHE (0.52) | HPGDALDH1A1TP53MAOBMAOA | |
| SCHEMBL28516837 | 0.83 | MAPT (0.54) | ALDH1A1TP53MAOBMAOAMEN1 | |
| SCHEMBL28531019 | 0.83 | NFE2L2 (0.44) | HPGDALDH1A1TP53MAOBMAOA | |
| Acetone SCHEMBL28062673 | 0.80 | HPGD (0.73) | HPGDALDH1A1TP53CYP11B1CYP11B2 | |
| SCHEMBL28528084 | 0.80 | MTNR1A (0.53) | TP53KMT2A | |
| SCHEMBL28522680 | 0.80 | CYP1A1 (0.48) | TP53MAOBMAPTLMNA | |
| SCHEMBL28522876 | 0.78 | CYP1A2 (0.47) | HPGDMEN1KMT2AMAPTL3MBTL1 | |
| Acetic Acid SCHEMBL9138173 | 0.78 | HPGD (0.70) | HPGDALDH1A1CYP11B1CYP11B2MAOB |
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 |