Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2927656 | 1.00 | CES2 (0.54) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL1158061 | 0.80 | ALDH1A1 (0.47) | ALDH1A1NPC1HPGDMAPTALOX15 | |
| SCHEMBL9221536 | 0.78 | CES2 (0.59) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL28092557 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL20560336 | 0.77 | ALDH1A1 (0.60) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL2031274 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL9539465 | 0.77 | ESR1 (0.45) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL21815266 | 0.76 | CES2 (0.56) | CES2CES1ALDH1A1NPC1HPGD | |
| Hydrochloric Acid SCHEMBL5022838 | 0.75 | CES2 (0.50) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL2489610 | 0.75 | CES2 (0.62) | CES2CES1ALDH1A1NPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023088457-A1 | SOLID FORM OF BENFOTIAMINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海日馨医药科技股份有限公司 | 2023-05-25 | — | — | WO | disclosed |