Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | ALPI | P09923 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | XIAP | P98170 | 1/20 | 0.53 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CTSC | P53634 | 1/20 | 0.50 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28552924 | 1.00 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9AALPIPKM | |
| SCHEMBL8338540 | 0.84 | HDAC3 (0.60) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL30452301 | 0.84 | THRB (0.51) | RAB9AALPIPKMPTGS1XIAP | |
| SCHEMBL21880144 | 0.84 | THRB (0.51) | RAB9AALPIPKMPTGS1XIAP | |
| SCHEMBL21880143 | 0.84 | THRB (0.51) | RAB9AALPIPKMPTGS1XIAP | |
| SCHEMBL28701925 | 0.83 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9AALDH1A1GAA | |
| SCHEMBL29410409 | 0.83 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9AALDH1A1GAA | |
| SCHEMBL6719263 | 0.82 | POLB (0.63) | NPC1RAB9AALPIPKMPTGS1 | |
| SCHEMBL30454499 | 0.82 | ATM (0.57) | NPC1RAB9AALPIPKMPTGS1 | |
| SCHEMBL28277701 | 0.82 | POLB (0.63) | NPC1RAB9AALPIPKMPTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112601734-B | Oximino naphthoquinone compound and preparation method and application thereof | 普济生物科技（台州）有限公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-112601734-A | Oximido naphthoquinone compound and preparation method and application thereof | 普济生物科技（台州）有限公司 | 2021-04-02 | — | — | CN | disclosed |
| WO-2020082817-A1 | NAPHTHOQUINONE OXIME COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF | 普济生物科技（台州）有限公司 | 2020-04-30 | — | — | WO | disclosed |