Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.69 |
| ▸ | RAB9A | P51151 | 3/20 | 0.69 |
| ▸ | TP53 | P04637 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.69 |
| ▸ | RELA | Q04206 | 1/20 | 0.69 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.59 |
| ▸ | PIM1 | P11309 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GUSB | P08236 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL29811021 | 1.00 | NPC1 (0.69) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL18650263 | 0.87 | NPC1 (0.89) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL14557097 | 0.87 | NPC1 (0.48) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL2214351 | 0.79 | MECP2 (0.69) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL28640053 | 0.79 | NOTUM (0.53) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL14112948 | 0.79 | SMN1; SMN2 (0.69) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL29811020 | 0.79 | RAB9A (0.69) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL28641829 | 0.79 | RAB9A (0.69) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL29811009 | 0.79 | NOTUM (0.53) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL10039243 | 0.79 | NPC1 (0.69) | NPC1RAB9ATP53TSHRSMN1; 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 6 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 |