Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | BRD4 | O60885 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | BRD2 | P25440 | 2/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16896772 | 0.81 | MAPT (0.46) | HTR6BRD4NPC1GPR119MAPT | |
| SCHEMBL28923571 | 0.77 | BRD4 (0.38) | BRD4MAPTCYP2C9BRD2BRD3 | |
| SCHEMBL18326389 | 0.77 | BRD4 (0.42) | BRD4NPC1MAPTCYP2C9BRD2 | |
| SCHEMBL24286230 | 0.71 | PKM (0.48) | BRD4MAPTBRD2BRD3PKM | |
| SCHEMBL16738080 | 0.69 | MEN1 (0.43) | HTR6BRD4MAPTCYP2C9PKM | |
| SCHEMBL12818029 | 0.68 | MAPT (0.45) | BRD4MAPTBRD2BRD3 | |
| SCHEMBL12818110 | 0.67 | MAPT (0.45) | HTR6BRD4MAPTCYP2C9BRD2 | |
| SCHEMBL12818102 | 0.67 | BRD4 (0.45) | BRD4MAPTCYP2C9BRD2BRD3 | |
| SCHEMBL12818382 | 0.67 | MAPT (0.44) | HTR6BRD4MAPTCYP2C9BRD2 | |
| SCHEMBL1633443 | 0.67 | NPC1 (0.53) | NR1H3HTR6NPC1CYP2C9CPT2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110092782-B | Benzo-hexaazacyclo compound and preparation method and application thereof | 中国科学院广州生物医药与健康研究院 | 2022-10-21 | — | — | CN | disclosed |