Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.40 |
| ▸ | C1R | P00736 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL31391540 | 0.85 | HRH4 (0.38) | C1RNOTUMHSD11B1PARP1CYP1A2 | |
| SCHEMBL19914341 | 0.85 | HRH4 (0.38) | C1RNOTUMHSD11B1PARP1CYP1A2 | |
| SCHEMBL29878860 | 0.80 | KDM4E (0.42) | C1RNOTUMMAPK1TOP2A | |
| SCHEMBL12637448 | 0.78 | CYP1A2 (0.44) | TRPA1C1RNOTUMPSMB8HSD11B1 | |
| SCHEMBL29878616 | 0.78 | ENPP1 (0.44) | CYP3A4CYP1A2HSD17B10ALDH1A1CYP2C19 | |
| SCHEMBL29878469 | 0.76 | NPC1 (0.42) | NOTUMHSD17B10ALDH1A1TOP2ATSHR | |
| SCHEMBL9304586 | 0.76 | TOP2A (0.41) | PIK3CAMAPK1HSD17B10ALDH1A1TOP2A | |
| SCHEMBL29878873 | 0.75 | PGR (0.43) | NOTUMTRPV1MAPK1EPHX2 | |
| SCHEMBL19895802 | 0.73 | PSMD14 (0.42) | TOP2A | |
| SCHEMBL29878631 | 0.72 | BACE1 (0.52) | TRPA1C1RNOTUMSCN9ATRPM8 |
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 |