Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1981365 | 0.87 | ALDH1A1 (0.51) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL1977121 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL12077461 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL1977119 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL9898944 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL9898940 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL4077302 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL12350182 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL18856053 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HIF1AHTTL3MBTL1GAA | |
| SCHEMBL13466033 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HIF1AHTTL3MBTL1GAA |
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 |