Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL51777 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL2380017 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| Water SCHEMBL28578882 | 0.98 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL28123484 | 0.98 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| Boric Acid SCHEMBL28369500 | 0.94 | CYP1A2 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL197980 | 0.91 | PTPN1 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| Alcohol SCHEMBL28567799 | 0.91 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL28191302 | 0.90 | PTPN1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL28461699 | 0.85 | PTPN1 (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL27561476 | 0.84 | PTPN1 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 |
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 |