Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29878256 | 1.00 | SMN1; SMN2 (0.54) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL28874291 | 0.85 | GSK3B (0.48) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL28874494 | 0.85 | ELANE (0.51) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL29878659 | 0.85 | ELANE (0.51) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL22524936 | 0.84 | ELANE (0.54) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL29032759 | 0.84 | MAPT (0.64) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL29878407 | 0.83 | LMNA (0.55) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL28874375 | 0.83 | LMNA (0.55) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL22525010 | 0.82 | ELANE (0.57) | SMN1; SMN2MAPTLMNAALDH1A1HTT | |
| SCHEMBL28874416 | 0.82 | LMNA (0.46) | SMN1; SMN2MAPTLMNAALDH1A1HTT |
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 |