Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 14/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 6/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPY2R | P49146 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18317136 | 0.81 | BRD4 (0.41) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL28923620 | 0.77 | NR1H3 (0.44) | BRD4MAPTBRD2BRD3CYP2C9 | |
| SCHEMBL28923416 | 0.67 | NR3C1 (0.39) | BRD4BRD2CYP3A4ALDH1A1NR3C1 | |
| SCHEMBL28923684 | 0.66 | NR3C1 (0.47) | BRD4MAPTBRD2BRD3ALDH1A1 | |
| SCHEMBL18326385 | 0.63 | EZH2 (0.43) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL28923500 | 0.63 | CHRM1 (0.39) | BRD4TP53CYP2C9NR3C1PGR | |
| SCHEMBL16692864 | 0.63 | MAPT (0.38) | TP53MAPTHPGDHSD17B10 | |
| SCHEMBL14678366 | 0.63 | PTGS1 (0.61) | BRD4MAPTBRD2BRD3CYP3A4 | |
| SCHEMBL16896866 | 0.62 | BRD4 (0.42) | BRD4BRD2BRD3CYP3A4CYP2C9 | |
| SCHEMBL16896826 | 0.60 | MEN1 (0.43) | BRD4TP53BRD2BRD3CYP3A4 |
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 |