Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | USP8 | P40818 | 1/20 | 0.48 |
| ▸ | USP7 | Q93009 | 1/20 | 0.48 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.47 |
| ▸ | PTPRC | P08575 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3899483 | 0.94 | CA1 (0.54) | CA1CA2CA7CA9USP8 | |
| SCHEMBL31369142 | 0.92 | CA1 (0.56) | CA1CA2CA7CA9USP8 | |
| SCHEMBL18048115 | 0.92 | CA1 (0.56) | CA1CA2CA7CA9USP8 | |
| SCHEMBL4532731 | 0.85 | CYP3A4 (0.53) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL13518527 | 0.85 | CYP3A4 (0.53) | CA1CA2CA7CA9CYP3A4 | |
| SCHEMBL5810336 | 0.82 | CA1 (0.54) | CA1CA2CA7CA9USP8 | |
| SCHEMBL7984104 | 0.82 | PTPRC (0.61) | USP8USP7PTPRCPTPN1CYP3A4 | |
| SCHEMBL6760398 | 0.80 | MAPT (0.63) | PTPRCPTPN1CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL19651865 | 0.80 | NQO1 (0.50) | USP8USP7PTPRCPTPN1CYP3A4 | |
| SCHEMBL12228755 | 0.79 | PDE4A (0.57) | CA1CA2CA7CA9USP8 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112961176-B | Preparation method of boron-dioxygen ring neutral radical compound | 南京大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-112961176-A | Preparation method of boron-dioxygen ring neutral radical compound | 南京大学 | 2021-06-15 | — | — | CN | disclosed |