Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5513195 | 1.00 | DGAT1 (0.36) | DGAT1CYP2C19MMESLC6A3LTA4H | |
| SCHEMBL8410293 | 0.95 | DGAT1 (0.37) | DGAT1CYP2C19 | |
| SCHEMBL5513198 | 0.91 | DGAT1 (0.39) | DGAT1MMESLC6A3 | |
| SCHEMBL27659634 | 0.82 | CYP2C19 (0.41) | CYP2C19MME | |
| SCHEMBL10723648 | 0.81 | GRM2 (0.33) | DGAT1CYP2C19MMELTA4H | |
| SCHEMBL7899652 | 0.78 | CYP2C19 (0.34) | DGAT1CYP2C19MMELTA4H | |
| SCHEMBL28053195 | 0.76 | CYP2C19 (0.38) | CYP2C19 | |
| SCHEMBL994568 | 0.73 | DGAT1 (0.33) | DGAT1 | |
| SCHEMBL29052017 | 0.72 | CES2 (0.33) | CYP2C19 | |
| SCHEMBL8441724 | 0.67 | GRM2 (0.41) | CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |