Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1883148 | 0.87 | ALDH1A1 (0.56) | ALDH1A1GAALMNASMN1; SMN2CYP2C9 | |
| SCHEMBL4181249 | 0.83 | ATM (0.56) | ALDH1A1RAB9ATSHRMAPTMAPK1 | |
| SCHEMBL29985784 | 0.78 | MBNL1 (0.70) | ALDH1A1GAAMBNL1PDE10ASMN1; SMN2 | |
| SCHEMBL28736606 | 0.78 | ALDH1A1 (0.56) | ALDH1A1GAAPDE10ALMNASMN1; SMN2 | |
| SCHEMBL30081463 | 0.78 | ALDH1A1 (0.58) | ALDH1A1GAAPDE10ALMNASMN1; SMN2 | |
| SCHEMBL715554 | 0.78 | ALDH1A1 (0.58) | ALDH1A1GAAPDE10ALMNASMN1; SMN2 | |
| SCHEMBL1315514 | 0.77 | PDE10A (0.56) | ALDH1A1GAAPDE10ALMNASMN1; SMN2 | |
| SCHEMBL14644197 | 0.76 | LMNA (0.50) | ALDH1A1GAAPDE10ALMNASMN1; SMN2 | |
| SCHEMBL14644255 | 0.76 | LMNA (0.53) | ALDH1A1GAALMNASMN1; SMN2CYP2C9 | |
| SCHEMBL28736545 | 0.76 | PDE10A (0.47) | ALDH1A1GAAPDE10ALMNASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110015985-B | 2- (alpha-deuterium-alpha-hydroxy-alpha-aryl/alkyl) aza-aromatic hydrocarbon compound and preparation method and application thereof | 河南师范大学 | 2022-05-13 | — | — | CN | disclosed |