Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.72 |
| ▸ | RAB9A | P51151 | 5/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | ADCY1 | Q08828 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2289115 | 0.84 | NPC1 (1.00) | NPC1RAB9ATSHRTP53SMN1; SMN2 | |
| SCHEMBL9058872 | 0.79 | NPC1 (0.60) | NPC1RAB9ATSHRTP53SMN1; SMN2 | |
| SCHEMBL28628120 | 0.79 | DGAT1 (0.60) | NPC1RAB9ATSHRTP53SMN1; SMN2 | |
| SCHEMBL7724942 | 0.79 | RAB9A (0.72) | NPC1RAB9ATP53SMN1; SMN2HSD17B10 | |
| SCHEMBL9364714 | 0.79 | ACHE (0.47) | NPC1RAB9ATP53SMN1; SMN2USP2 | |
| SCHEMBL988353 | 0.79 | NPC1 (0.62) | NPC1RAB9ATSHRTP53SMN1; SMN2 | |
| SCHEMBL28353634 | 0.79 | NPC1 (0.64) | NPC1RAB9ATP53SMN1; SMN2HSD17B10 | |
| SCHEMBL21434668 | 0.79 | NOTUM (0.47) | NPC1RAB9ATSHRTP53SMN1; SMN2 | |
| SCHEMBL6296345 | 0.79 | NPC1 (0.55) | NPC1RAB9ATP53SMN1; SMN2HSD17B10 | |
| SCHEMBL406885 | 0.78 | NPC1 (0.70) | NPC1RAB9ATSHRTP53SMN1; SMN2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113461630-B | Nootkatone thioether derivative containing 1,3, 4-oxadiazole ring, and preparation method and application thereof | 郑州大学 | 2022-09-02 | — | — | CN | claimed |
| CN-113461630-A | Nootkatone thioether derivative containing 1,3, 4-oxadiazole ring, and preparation method and application thereof | 郑州大学 | 2021-10-01 | — | — | CN | claimed |
| CN-113582983-B | 1,3,4-oxadiazole thioether myricetin derivative, preparation method and application | 贵州大学 | 2023-04-18 | — | — | CN | disclosed |
| CN-113461630-B | Nootkatone thioether derivative containing 1,3, 4-oxadiazole ring, and preparation method and application thereof | 郑州大学 | 2022-09-02 | — | — | CN | disclosed |
| CN-113582983-A | Myricetin derivative of 1,3, 4-oxadiazole thioether, preparation method and application | 贵州大学 | 2021-11-02 | — | — | CN | disclosed |
| CN-113461630-A | Nootkatone thioether derivative containing 1,3, 4-oxadiazole ring, and preparation method and application thereof | 郑州大学 | 2021-10-01 | — | — | CN | disclosed |
| CN-105949181-B | 4- hydroxypyrrole quinoline -2- ketone derivatives, preparation method and the application of the oxadiazoles containing 1,3,4- | 贵州大学 | 2019-08-02 | — | — | CN | disclosed |
| US-9809545-B2 | Factor XIa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-07 | — | — | US | disclosed |
| CN-104292224-A | Benzothiazole amide derivatives containing substituted 1,3,4-thiadiazole (oxadiazole) thioether as well as preparation method and application of derivatives | UNIV GUIZHOU | 2015-01-21 | — | — | CN | disclosed |