Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 4/20 | 0.40 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.37 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28536274 | 1.00 | HMGCR (0.40) | HMGCRLPAR3LPAR1LPAR2MGLL | |
| SCHEMBL28531522 | 0.98 | HMGCR (0.42) | HMGCRLPAR3LPAR1LPAR2FAAH | |
| SCHEMBL28523438 | 0.98 | HMGCR (0.42) | HMGCRLPAR3LPAR1LPAR2FAAH | |
| SCHEMBL28531520 | 0.93 | HMGCR (0.40) | HMGCRLPAR3LPAR1LPAR2FAAH | |
| SCHEMBL28531890 | 0.93 | HMGCR (0.40) | HMGCRLPAR3LPAR1LPAR2FAAH | |
| SCHEMBL28532634 | 0.93 | HMGCR (0.40) | HMGCRLPAR3LPAR1LPAR2FAAH | |
| SCHEMBL28523445 | 0.92 | HMGCR (0.42) | HMGCRLPAR3LPAR1LPAR2FAAH | |
| SCHEMBL28524873 | 0.92 | HMGCR (0.42) | HMGCRLPAR3LPAR1LPAR2FAAH | |
| SCHEMBL28524856 | 0.92 | HMGCR (0.42) | HMGCRLPAR3LPAR1LPAR2FAAH | |
| SCHEMBL29156556 | 0.92 | HMGCR (0.42) | HMGCRLPAR3LPAR1LPAR2FAAH |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112441895-B | Dialkoxy alkadienyne compound, preparation method thereof and preparation method of dialkoxy alkadienyne aldehyde compound | 信越化学工业株式会社 | 2024-01-23 | — | — | CN | disclosed |
| CN-112441895-A | Dialkoxyl alkadienyne compound, preparation method thereof and preparation method of diene alkynal compound | 信越化学工业株式会社 | 2021-03-05 | — | — | CN | disclosed |