Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
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 | 1.00 | CTSD (0.49) | CTSDBACE1VSIRLCKKDR | |
| SCHEMBL28874486 | 0.88 | NPC1 (0.50) | CTSDBACE1VSIRLCKKDR | |
| SCHEMBL29878705 | 0.82 | BACE1 (0.49) | BACE1VSIRTRPA1ALOX5APFEN1 | |
| SCHEMBL28874275 | 0.82 | BACE1 (0.49) | BACE1VSIRTRPA1ALOX5APFEN1 | |
| SCHEMBL14160771 | 0.80 | NPC1 (0.43) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL10667529 | 0.79 | L3MBTL1 (0.47) | BACE1VSIRALDH1A1NPC1RAB9A | |
| SCHEMBL29878683 | 0.79 | L3MBTL1 (0.47) | BACE1VSIRALDH1A1NPC1RAB9A | |
| SCHEMBL29878631 | 0.78 | BACE1 (0.52) | BACE1TRPA1TSHRCYP2C19CLK4 | |
| SCHEMBL28874276 | 0.78 | NPC1 (0.46) | CYP2C19ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29878463 | 0.78 | NPC1 (0.46) | CYP2C19ALDH1A1CYP1A2CYP3A4CYP2D6 |
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 |