Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL432112 | 0.93 | HDAC6 (0.37) | DGAT1HDAC6HDAC1HDAC2CA14 | |
| Hydrochloric Acid SCHEMBL5679482 | 0.91 | HDAC6 (0.36) | DGAT1HDAC6HDAC1HDAC2CA14 | |
| Sulfuric Acid SCHEMBL11537326 | 0.84 | CA14 (0.33) | DGAT1HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL8737769 | 0.78 | HDAC6 (0.39) | DGAT1ALDH1A1HDAC6HDAC1HDAC2 | |
| SCHEMBL28610808 | 0.77 | HDAC6 (0.34) | DGAT1HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL17844334 | 0.76 | HDAC6 (0.36) | DGAT1HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL1706932 | 0.75 | HDAC6 (0.38) | DGAT1HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL1771686 | 0.75 | HDAC6 (0.38) | DGAT1HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL3126231 | 0.74 | DGAT1 (0.38) | DGAT1HDAC6HDAC1HDAC2CA14 | |
| SCHEMBL23452708 | 0.74 | DGAT1 (0.43) | DGAT1HDAC6HDAC1HDAC2CA14 |
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-117447353-A | Preparation method of deuterium-celecoxib intermediate | 爱斯特（成都）生物制药股份有限公司 | 2024-01-26 | — | — | CN | disclosed |