Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8047242 | 0.96 | DGAT1 (0.33) | DGAT1MAOB | |
| SCHEMBL5873442 | 0.84 | AKR1C1 (0.34) | AKR1C1 | |
| Ethane SCHEMBL908993 | 0.80 | AKR1C1 (0.32) | AKR1C1 | |
| SCHEMBL15658483 | 0.70 | HTT (0.35) | — | |
| SCHEMBL6092886 | 0.69 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL5522879 | 0.66 | DGAT1 (0.39) | DGAT1AKR1C1MAOB | |
| SCHEMBL1977627 | 0.66 | DGAT1 (0.39) | DGAT1AKR1C1MAOB | |
| SCHEMBL15657353 | 0.66 | MCL1 (0.41) | AKR1C1 | |
| SCHEMBL14941423 | 0.64 | CYP2C19 (0.34) | AKR1C1 | |
| SCHEMBL3170 | 0.64 | FFAR3 (0.37) | AKR1C1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0991772-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | Biocatalytics, Inc. (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |
| WO-1998054350-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1998-12-03 | — | — | WO | disclosed |