Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | CASP3 | P42574 | 3/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 3/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29878690 | 0.88 | CTSD (0.49) | NPC1RAB9ATSHRKDM4EALDH1A1 | |
| SCHEMBL28874350 | 0.88 | CTSD (0.49) | NPC1RAB9ATSHRKDM4EALDH1A1 | |
| SCHEMBL29594461 | 0.79 | GAA (0.65) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL852874 | 0.79 | GAA (0.65) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28874458 | 0.78 | ALDH1A1 (0.56) | NPC1RAB9ATSHRKDM4EALDH1A1 | |
| SCHEMBL10939942 | 0.78 | GAA (0.63) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL29878660 | 0.77 | L3MBTL1 (0.54) | NPC1RAB9ATSHRKDM4EALDH1A1 | |
| SCHEMBL28874293 | 0.77 | L3MBTL1 (0.54) | NPC1RAB9ATSHRKDM4EALDH1A1 | |
| SCHEMBL14160785 | 0.74 | GAA (0.45) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5157768 | 0.73 | CTSD (0.60) | TSHRKDM4EALDH1A1TP53HSD17B10 |
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 |