Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5859056 | 0.89 | DGAT1 (0.59) | DGAT1ALDH1A1ELANEKCNN4 | |
| SCHEMBL1022153 | 0.87 | DGAT1 (0.56) | DGAT1ALDH1A1ELANEKCNN4GAA | |
| SCHEMBL18778754 | 0.84 | DGAT1 (0.54) | DGAT1ALDH1A1ELANEKCNN4GAA | |
| SCHEMBL808799 | 0.78 | DGAT1 (0.74) | DGAT1ALDH1A1ELANEKCNN4GAA | |
| SCHEMBL23091415 | 0.75 | DGAT1 (0.70) | DGAT1ALDH1A1ELANEKCNN4GAA | |
| Ammonia Solution, Strong SCHEMBL7639328 | 0.75 | DGAT1 (0.70) | DGAT1ALDH1A1ELANEKCNN4GAA | |
| Iodide SCHEMBL10533676 | 0.75 | DGAT1 (0.70) | DGAT1ALDH1A1ELANEKCNN4GAA | |
| SCHEMBL28372443 | 0.75 | DGAT1 (0.50) | DGAT1ALDH1A1ELANEKCNN4 | |
| SCHEMBL10453967 | 0.71 | DGAT1 (0.46) | DGAT1ELANE | |
| SCHEMBL28959551 | 0.71 | DGAT1 (0.46) | DGAT1ALDH1A1ELANEGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6559343-B1 | Reacting cyclobutane-1,3-dione with silylation agent in presence of base; acetylation in presence of Lewis acid catalyst; cyclization | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-06 | — | — | US | disclosed |
| CN-1353685-A | Process for preparing 2,2,4, 4-tetra-substituted 1,3, 5-cyclohexanetriones | BASF AG (DE) | 2002-06-12 | — | — | CN | disclosed |
| EP-1181264-A1 | METHOD FOR PRODUCING 2,2,4,4-TETRA-SUBSTITUTED 1,3,5-CYCLOHEXANETRIONES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000075095-A1 | METHOD FOR PRODUCING 2,2,4,4-TETRA-SUBSTITUTED 1,3,5-CYCLOHEXANETRIONES | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-14 | — | — | WO | disclosed |