Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.60 |
| ▸ | BACE1 | P56817 | 2/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | CIT | O14578 | 1/20 | 0.53 |
| ▸ | 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 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.51 |
| ▸ | CTSC | P53634 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663334 | 1.00 | ROCK2 (0.60) | ROCK2BACE1HDAC8CITALPI | |
| SCHEMBL10176502 | 1.00 | ROCK2 (0.60) | ROCK2BACE1HDAC8CITALPI | |
| SCHEMBL1374838 | 0.92 | NPY5R (0.58) | ROCK2BACE1HDAC8LTA4H | |
| SCHEMBL1374841 | 0.92 | NPY5R (0.58) | ROCK2BACE1HDAC8LTA4H | |
| SCHEMBL2312361 | 0.89 | BACE1 (0.63) | BACE1HDAC8CITALPIPKM | |
| SCHEMBL28279157 | 0.89 | BACE1 (0.63) | BACE1HDAC8CITALPIPKM | |
| SCHEMBL2312372 | 0.89 | BACE1 (0.63) | BACE1HDAC8CITALPIPKM | |
| Hydrochloric Acid SCHEMBL5960990 | 0.87 | HDAC8 (0.65) | BACE1HDAC8CITALPIPKM | |
| Hydrochloric Acid SCHEMBL5960992 | 0.87 | HDAC8 (0.65) | BACE1HDAC8CITALPIPKM | |
| SCHEMBL23477267 | 0.85 | BACE1 (0.60) | ROCK2BACE1HDAC8CITALPI |
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 |