Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 4/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL21065507 | 0.69 | HCAR2 (0.71) | HCAR2NAAAEPHX1ATMTSHR | |
| SCHEMBL18339407 | 0.69 | HCAR2 (0.71) | HCAR2NAAAEPHX1ATMTSHR | |
| SCHEMBL18339405 | 0.69 | HCAR2 (0.71) | HCAR2NAAAEPHX1ATMTSHR | |
| SCHEMBL11825918 | 0.69 | HCAR2 (0.71) | HCAR2NAAAEPHX1ATMTSHR | |
| SCHEMBL11825924 | 0.69 | HCAR2 (0.71) | HCAR2NAAAEPHX1ATMTSHR | |
| SCHEMBL16161115 | 0.68 | HMGCR (0.52) | HCAR2PPARGNAAAHMGCRFAAH | |
| SCHEMBL16161104 | 0.68 | HMGCR (0.52) | HCAR2PPARGNAAAHMGCRFAAH | |
| SCHEMBL16161664 | 0.68 | HMGCR (0.52) | HCAR2PPARGNAAAHMGCRFAAH | |
| SCHEMBL17027690 | 0.66 | HMGCR (0.63) | PPARGHMGCR | |
| SCHEMBL15420337 | 0.66 | HMGCR (0.63) | PPARGHMGCR |
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 |