Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.48 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | SCD | O00767 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL29878705 | 1.00 | BACE1 (0.49) | BACE1VSIRPIK3R1PIK3CAGPR119 | |
| SCHEMBL28874350 | 0.82 | CTSD (0.49) | BACE1VSIRTRPA1ALOX5APFEN1 | |
| SCHEMBL29878690 | 0.82 | CTSD (0.49) | BACE1VSIRTRPA1ALOX5APFEN1 | |
| SCHEMBL28874269 | 0.81 | BACE1 (0.52) | BACE1PIK3R1PIK3CATRPA1ALOX5AP | |
| SCHEMBL29878631 | 0.81 | BACE1 (0.52) | BACE1PIK3R1PIK3CATRPA1ALOX5AP | |
| SCHEMBL4054476 | 0.81 | VSIR (0.61) | BACE1VSIRGPR119HDAC6HDAC3 | |
| SCHEMBL14160771 | 0.80 | NPC1 (0.43) | GPR119ESR1ESR2 | |
| SCHEMBL10667529 | 0.79 | L3MBTL1 (0.47) | BACE1VSIRPIK3R1PIK3CAGPR119 | |
| SCHEMBL29878683 | 0.79 | L3MBTL1 (0.47) | BACE1VSIRPIK3R1PIK3CAGPR119 | |
| SCHEMBL4062955 | 0.78 | VSIR (0.56) | BACE1VSIRPIK3R1PIK3CAGPR119 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124485-B | Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-12-15 | — | — | CN | disclosed |
| CN-115124485-A | Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof | 中国医学科学院药物研究所 | 2022-09-30 | — | — | CN | disclosed |