Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5898802 | 0.86 | DGAT1 (0.40) | DGAT1ALDH1A1 | |
| SCHEMBL14999614 | 0.77 | HCAR2 (0.38) | DGAT1GAAALDH1A1 | |
| SCHEMBL43004 | 0.75 | HCAR2 (0.45) | DGAT1ALDH1A1 | |
| SCHEMBL375029 | 0.75 | HCAR2 (0.45) | DGAT1ALDH1A1 | |
| SCHEMBL43764 | 0.75 | HCAR2 (0.45) | DGAT1ALDH1A1 | |
| SCHEMBL812341 | 0.74 | ALOX15 (0.39) | DGAT1GAA | |
| SCHEMBL1913508 | 0.72 | — | — | |
| SCHEMBL297178 | 0.72 | — | — | |
| SCHEMBL9483930 | 0.72 | DGAT1 (0.34) | DGAT1 | |
| SCHEMBL10295313 | 0.72 | DGAT1 (0.34) | DGAT1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7863294-B2 | Heterocycle derivatives as histone deacetylase (HDAC) inhibitors | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-01-04 | — | — | US | disclosed |
| US-4937331-A | Chemical intermediates for antibiotics | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1990-06-26 | — | — | US | disclosed |
| EP-0334593-A1 | Chiral azetidinone epoxides | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1989-09-27 | — | — | EP | disclosed |