Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL28484297 | 0.77 | GAA (0.51) | ALDH1A1NPC1KDM4EGAAHTT | |
| SCHEMBL6325005 | 0.77 | MAPT (0.44) | ALDH1A1KDM4EHSD17B10HTTLMNA | |
| SCHEMBL11845041 | 0.74 | KDM4E (0.60) | ALDH1A1NPC1KDM4EGAAHSD17B10 | |
| SCHEMBL6327889 | 0.73 | SMN1; SMN2 (0.45) | ALDH1A1HSD17B10HTTLMNAMAPT | |
| SCHEMBL11286713 | 0.73 | GAA (0.53) | ALDH1A1NPC1KDM4EGAAHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL11289851 | 0.72 | GAA (0.51) | ALDH1A1NPC1KDM4EGAAHSD17B10 | |
| SCHEMBL31303536 | 0.71 | KDM1A (0.37) | ALDH1A1GAAHSD17B10LMNAMAPT | |
| SCHEMBL20601935 | 0.71 | MEN1 (0.56) | KDM4EMAPTPOLBMEN1KMT2A | |
| SCHEMBL8056054 | 0.70 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10HTTLMNA | |
| SCHEMBL31476880 | 0.70 | ALDH1A1 (0.43) | ALDH1A1NPC1KDM4EGAAHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112010827-A | Benzylaminophthalide compound, preparation method and application thereof | 四川大学 | 2020-12-01 | — | — | CN | claimed |
| CN-112010827-A | Benzylaminophthalide compound, preparation method and application thereof | 四川大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-112010827-A | Benzylaminophthalide compound, preparation method and application thereof | 四川大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-112010827-A | Benzylaminophthalide compound, preparation method and application thereof | 四川大学 | 2020-12-01 | — | — | CN | disclosed |