Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | USP2 | O75604 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28874269 | 1.00 | BACE1 (0.52) | BACE1PIK3R1PIK3CATRPA1TRPM8 | |
| SCHEMBL4058082 | 0.82 | BACE1 (0.51) | BACE1PIK3R1PIK3CATRPA1ALDH1A1 | |
| SCHEMBL28874275 | 0.81 | BACE1 (0.49) | BACE1PIK3R1PIK3CATRPA1EPHX2 | |
| SCHEMBL29878705 | 0.81 | BACE1 (0.49) | BACE1PIK3R1PIK3CATRPA1EPHX2 | |
| SCHEMBL28874350 | 0.78 | CTSD (0.49) | BACE1TRPA1CYP3A4CYP1A2TSHR | |
| SCHEMBL29878690 | 0.78 | CTSD (0.49) | BACE1TRPA1CYP3A4CYP1A2TSHR | |
| SCHEMBL4057762 | 0.77 | BACE1 (0.46) | BACE1PIK3R1PIK3CATRPA1SCN9A | |
| SCHEMBL4051587 | 0.77 | VSIR (0.51) | BACE1PIK3R1PIK3CATRPA1ALDH1A1 | |
| SCHEMBL29879273 | 0.77 | KIF11 (0.42) | EPHX2NOTUM | |
| SCHEMBL28874407 | 0.77 | KIF11 (0.42) | EPHX2NOTUM |
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 |