Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.52 |
| ▸ | ALPI | P09923 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | XIAP | P98170 | 1/20 | 0.51 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | CTSC | P53634 | 1/20 | 0.49 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.49 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28555017 | 0.89 | ALDH1A1 (0.65) | BACE1ALDH1A1TP53IDO1ROCK2 | |
| SCHEMBL26463800 | 0.89 | ALDH1A1 (0.65) | BACE1ALDH1A1TP53IDO1ROCK2 | |
| SCHEMBL28555016 | 0.89 | ALDH1A1 (0.65) | BACE1ALDH1A1TP53IDO1ROCK2 | |
| SCHEMBL29002157 | 0.87 | MAPK1 (0.63) | BACE1ALPIPKMPTGS1XIAP | |
| SCHEMBL28085745 | 0.87 | MAPK1 (0.63) | BACE1ALPIPKMPTGS1XIAP | |
| SCHEMBL28085751 | 0.87 | MAPK1 (0.63) | BACE1ALPIPKMPTGS1XIAP | |
| SCHEMBL2312372 | 0.84 | BACE1 (0.63) | BACE1AKT1ALPIPKMPTGS1 | |
| SCHEMBL2312361 | 0.84 | BACE1 (0.63) | BACE1AKT1ALPIPKMPTGS1 | |
| SCHEMBL28279157 | 0.84 | BACE1 (0.63) | BACE1AKT1ALPIPKMPTGS1 | |
| SCHEMBL26464105 | 0.83 | TP53 (0.65) | BACE1AKT1ALDH1A1TP53ROCK2 |
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-112601734-B | Oximino naphthoquinone compound and preparation method and application thereof | 普济生物科技（台州）有限公司 | 2023-05-23 | — | — | CN | disclosed |