Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL63935 | 0.92 | — | — | |
| SCHEMBL28378968 | 0.92 | ALDH1A1 (0.39) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 | |
| Methane SCHEMBL27671750 | 0.90 | ALDH1A1 (0.38) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 | |
| Fluoride SCHEMBL28284747 | 0.90 | ALDH1A1 (0.38) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL6270517 | 0.90 | ALDH1A1 (0.38) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 | |
| SCHEMBL27365051 | 0.90 | ALDH1A1 (0.38) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 | |
| SCHEMBL11765164 | 0.90 | ALDH1A1 (0.38) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 | |
| Alcohol SCHEMBL28984145 | 0.87 | TDP1 (0.36) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 | |
| SCHEMBL27815234 | 0.85 | ALDH1A1 (0.35) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 | |
| Ethylene Glycol SCHEMBL28172177 | 0.85 | TDP1 (0.39) | ALDH1A1DGAT1CYP2D6HDAC3HDAC1 |
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-105601524-A | Preparation method of LCZ696 key intermediate | WISDOM PHARMACEUTICAL CO LTD | 2016-05-25 | — | — | CN | disclosed |