Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3068992 | 1.00 | CES1 (0.39) | CES1AKR1B1CES2ALOX15ALDH1A1 | |
| SCHEMBL30828026 | 1.00 | CES1 (0.39) | CES1AKR1B1CES2ALOX15ALDH1A1 | |
| SCHEMBL11361617 | 0.83 | CA2 (0.43) | CES2ALOX15ALDH1A1KDM4EMEN1 | |
| SCHEMBL11889792 | 0.83 | MAPT (0.38) | CES1CES2ALOX15ALDH1A1MAPK1 | |
| SCHEMBL3227911 | 0.83 | ALDH1A1 (0.41) | CES1CES2ALOX15ALDH1A1KDM4E | |
| SCHEMBL10711481 | 0.83 | CA2 (0.41) | CES1CES2ALOX15ALDH1A1KDM4E | |
| SCHEMBL6912635 | 0.83 | ALDH1A1 (0.41) | CES1CES2ALOX15ALDH1A1KDM4E | |
| SCHEMBL9456919 | 0.81 | KMT2A (0.41) | CES1CES2ALDH1A1KEAP1FFAR1 | |
| SCHEMBL9456923 | 0.81 | KMT2A (0.41) | CES1CES2ALDH1A1KEAP1FFAR1 | |
| SCHEMBL9457024 | 0.81 | KMT2A (0.41) | CES1CES2ALDH1A1KEAP1FFAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117802060-A | Sulfoxide reductase mutant and application thereof in preparation of complex group chiral sulfoxide | 遵义医科大学 | 2024-04-02 | — | — | CN | disclosed |
| CN-117778339-A | Sulfoxide reductase mutant and application thereof in preparation of chiral sulfoxide and sulfinyl ester | 遵义医科大学 | 2024-03-29 | — | — | CN | disclosed |
| EP-0287042-B1 | 2-SULPHINYL-ACETYL-1,3-THIAZOLIDINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-09-16 | — | — | EP | disclosed |
| US-4849437-A | 2-sulphinyl-acetyl-1,3-thiazolidines, their preparation and pharmaceutical compositions | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1989-07-18 | — | — | US | disclosed |