Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | HPGD | P15428 | 3/20 | 0.66 |
| ▸ | RAD52 | P43351 | 1/20 | 0.66 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | FLT1 | P17948 | 2/20 | 0.44 |
| ▸ | FLT4 | P35916 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2468448 | 0.81 | KDM4E (0.54) | ALDH1A1HPGDRAD52JAK2TYK2 | |
| SCHEMBL23850215 | 0.81 | PRSS1 (0.50) | ALDH1A1HPGDRAD52JAK2TYK2 | |
| SCHEMBL29966096 | 0.81 | KDM4E (0.54) | ALDH1A1HPGDRAD52JAK2TYK2 | |
| SCHEMBL11708561 | 0.79 | ALDH1A1 (1.00) | ALDH1A1HPGDRAD52MAPTRAB9A | |
| SCHEMBL20241764 | 0.79 | ALDH1A1 (0.68) | ALDH1A1HPGDRAD52MAPTRAB9A | |
| SCHEMBL31493212 | 0.79 | ALDH1A1 (0.68) | ALDH1A1HPGDRAD52MAPTRAB9A | |
| SCHEMBL3340477 | 0.79 | GAA (0.68) | ALDH1A1HPGDRAD52JAK2TYK2 | |
| SCHEMBL3340475 | 0.79 | GAA (0.68) | ALDH1A1HPGDRAD52JAK2TYK2 | |
| SCHEMBL30441438 | 0.77 | ALDH1A1 (0.76) | ALDH1A1HPGDRAD52MAPTGAA | |
| SCHEMBL7091405 | 0.77 | RAB9A (0.65) | ALDH1A1HPGDJAK2TYK2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115160285-A | Thioamides ALDH 2 Agonist, preparation method and application | 云南大学 | 2022-10-11 | — | — | CN | claimed |
| CN-115160285-B | Thioamides ALDH 2 Agonist, preparation method and application | 云南大学 | 2022-11-29 | — | — | CN | disclosed |
| CN-115160285-A | Thioamides ALDH 2 Agonist, preparation method and application | 云南大学 | 2022-10-11 | — | — | CN | disclosed |