Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27868940 | 0.89 | POLB (0.43) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL20894944 | 0.82 | ALDH1A1 (0.49) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL27851942 | 0.80 | ALDH1A1 (0.47) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL12494490 | 0.80 | ALDH1A1 (0.44) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL12494494 | 0.80 | ALDH1A1 (0.44) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL17606924 | 0.80 | ALDH1A1 (0.44) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL12494492 | 0.80 | ALDH1A1 (0.44) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL27868942 | 0.79 | ALDH1A1 (0.41) | ALDH1A1GAAHTTTHRBL3MBTL1 | |
| SCHEMBL28097422 | 0.78 | CYP2C19 (0.41) | ALDH1A1KMT2AMEN1HIF1A | |
| SCHEMBL9898940 | 0.77 | ALDH1A1 (0.47) | ALDH1A1GAAHTTTHRBL3MBTL1 |
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 |