Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PHGDH | O43175 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28917068 | 0.98 | CES2 (0.56) | CES2CES1ALDH1A1HPGDLMNA | |
| SCHEMBL23564897 | 0.83 | HPGD (0.58) | CES2ALDH1A1HPGDLMNAGAA | |
| SCHEMBL29209373 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HPGDLMNAAKR1C3HTT | |
| SCHEMBL28611988 | 0.82 | PHGDH (0.71) | ALDH1A1HPGDLMNAAKR1C3HTT | |
| SCHEMBL28916572 | 0.81 | HPGD (0.65) | CES2CES1ALDH1A1HPGDLMNA | |
| SCHEMBL28916556 | 0.81 | RAB9A (0.57) | CES2CES1ALDH1A1HPGDLMNA | |
| SCHEMBL3455787 | 0.81 | HPGD (0.80) | ALDH1A1HPGDLMNAHSD17B10MAPT | |
| SCHEMBL5564719 | 0.81 | HPGD (0.66) | ALDH1A1HPGDLMNAHTTGAA | |
| SCHEMBL11112400 | 0.81 | HPGD (0.80) | ALDH1A1HPGDLMNAHSD17B10MAPT | |
| SCHEMBL29209387 | 0.80 | CHRNA7 (0.48) | ALDH1A1HPGDLMNAAKR1C3HTT |
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-115504946-B | Method for synthesizing alpha-ketoamide compound | 武汉工程大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-115504946-A | Method for synthesizing alpha-keto amide compound | 武汉工程大学 | 2022-12-23 | — | — | CN | disclosed |