Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2718360 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL4427347 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL1981365 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL28097458 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL1978169 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL13466033 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL1975721 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL1977119 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL1975723 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HIF1AL3MBTL1HTTGAA | |
| SCHEMBL1977121 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HIF1AL3MBTL1HTTGAA |
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-103429590-B | 1, 4 thiazepine/sulfone as BACE1 and/or BACE2 inhibitors | 霍夫曼-拉罗奇有限公司 | 2016-10-26 | — | — | CN | disclosed |