Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 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 |
| ▸ | NAMPT | P43490 | 2/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.52 |
| ▸ | MC3R | P41968 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 2/20 | 0.51 |
| ▸ | CTSC | P53634 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL8129373 | 1.00 | BACE1 (0.60) | BACE1POLBHDAC8ROCK2CIT | |
| SCHEMBL27894404 | 1.00 | BACE1 (0.60) | BACE1POLBHDAC8ROCK2CIT | |
| SCHEMBL15577693 | 0.92 | GAA (0.54) | BACE1POLBHDAC8ROCK2KMT2A | |
| SCHEMBL2312361 | 0.89 | BACE1 (0.63) | BACE1HDAC8CITALPIPKM | |
| SCHEMBL28279157 | 0.89 | BACE1 (0.63) | BACE1HDAC8CITALPIPKM | |
| SCHEMBL2312372 | 0.89 | BACE1 (0.63) | BACE1HDAC8CITALPIPKM | |
| Hydrochloric Acid SCHEMBL5960992 | 0.87 | HDAC8 (0.65) | BACE1HDAC8CITALPIPKM | |
| Hydrochloric Acid SCHEMBL5960990 | 0.87 | HDAC8 (0.65) | BACE1HDAC8CITALPIPKM | |
| SCHEMBL30454484 | 0.87 | BACE1 (0.52) | BACE1HDAC8ROCK2CITALPI | |
| SCHEMBL23477267 | 0.85 | BACE1 (0.60) | BACE1HDAC8ROCK2CITALPI |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024177984-A1 | BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV | ASSEMBLY BIOSCIENCES, INC. (US) | 2024-08-29 | — | — | WO | disclosed |
| 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 |