Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | LIPE | Q05469 | 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 | |
|---|---|---|---|---|
| SCHEMBL28840749 | 0.96 | ALDH1A1 (0.39) | ALDH1A1GAAGFERPDK2CYP4F2 | |
| SCHEMBL28841071 | 0.95 | ALDH1A1 (0.42) | ALDH1A1GAAGFERPDK2CYP4F2 | |
| SCHEMBL28840757 | 0.85 | AKR1B1 (0.42) | ALDH1A1GAAMAPTTSHRHPGD | |
| SCHEMBL28953082 | 0.82 | AKR1B1 (0.42) | ALDH1A1GAAMAPTTSHRHPGD | |
| SCHEMBL28841078 | 0.81 | AKR1B1 (0.41) | ALDH1A1GAAMAPTTSHRHPGD | |
| SCHEMBL28841014 | 0.79 | AKR1B1 (0.44) | ALDH1A1GAAMAPTTSHRHPGD | |
| SCHEMBL26087589 | 0.75 | CHRM2 (0.48) | ALDH1A1GAAGFERPDK2CYP4F2 | |
| SCHEMBL30148841 | 0.74 | AKR1B1 (0.40) | ALDH1A1GAAMAPTTSHRHPGD | |
| SCHEMBL30148842 | 0.72 | AKR1B1 (0.40) | ALDH1A1GAAMAPTTSHRHPGD | |
| SCHEMBL14414716 | 0.71 | ALDH1A1 (0.43) | ALDH1A1GAAGFERPDK2CYP4F2 |
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-114907389-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-08-16 | — | — | CN | disclosed |