Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28830478 | 1.00 | CES2 (0.36) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL24877434 | 0.84 | CES2 (0.42) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL28830561 | 0.79 | ALDH1A1 (0.44) | CYP3A4ALDH1A1CYP2D6TP53CYP1A2 | |
| SCHEMBL15022607 | 0.78 | CYP3A4 (0.40) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL25194111 | 0.78 | IDO1 (0.39) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL15705118 | 0.78 | IDO1 (0.39) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL18683299 | 0.76 | CES2 (0.37) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL28915619 | 0.74 | CNR2 (0.45) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL28916312 | 0.74 | CNR2 (0.45) | CES2CES1IDO1TDO2CNR2 | |
| SCHEMBL28103225 | 0.74 | ALDH1A1 (0.42) | ALDH1A1ALOX15GAAMEN1KMT2A |
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-114957304-B | Chiral 1, 5-diborane compound and synthetic method and application thereof | 浙江大学 | 2024-06-21 | — | — | CN | disclosed |
| CN-114957304-A | Chiral 1, 5-diborane compound and synthesis method and application thereof | 浙江大学 | 2022-08-30 | — | — | CN | disclosed |