Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | LPL | P06858 | 5/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 5/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21484379 | 1.00 | BACE1 (0.38) | BACE1ALDH1A1L3MBTL1DRD2DRD3 | |
| SCHEMBL2798649 | 0.85 | DRD2 (0.49) | ALDH1A1L3MBTL1DRD2DRD3ROCK1 | |
| SCHEMBL28507637 | 0.83 | ALDH1A1 (0.37) | BACE1ALDH1A1L3MBTL1DRD2DRD3 | |
| SCHEMBL28504631 | 0.81 | BACE1 (0.35) | BACE1ALDH1A1L3MBTL1DRD2DRD3 | |
| SCHEMBL29776667 | 0.80 | ROCK1 (0.45) | BACE1ALDH1A1L3MBTL1LPLLIPG | |
| SCHEMBL13717591 | 0.80 | ROCK1 (0.45) | BACE1ALDH1A1L3MBTL1LPLLIPG | |
| SCHEMBL1934039 | 0.78 | MAPT (0.40) | ALDH1A1L3MBTL1DRD2DRD3LPL | |
| SCHEMBL29554269 | 0.78 | MAPT (0.40) | ALDH1A1L3MBTL1DRD2DRD3LPL | |
| SCHEMBL31485111 | 0.78 | KDM4E (0.50) | ALDH1A1L3MBTL1DRD2DRD3LPL | |
| SCHEMBL2802127 | 0.78 | DRD2 (0.49) | ALDH1A1DRD2DRD3KDM4EDRD4 |
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-110072865-B | Pyrrolo-aromatic heterocyclic compounds, preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2022-02-11 | — | — | CN | disclosed |