Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 11/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3093586 | 0.86 | HDAC6 (0.54) | HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL3104273 | 0.85 | HDAC6 (0.52) | HDAC1HDAC6CYP19A1HDAC4HDAC3 | |
| SCHEMBL4709223 | 0.82 | HDAC6 (0.44) | HDAC1HDAC6HDAC4HDAC3NR1I3 | |
| SCHEMBL3086413 | 0.80 | MEN1 (0.50) | HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL3088681 | 0.76 | HDAC6 (0.52) | HDAC1HDAC6MAPTHDAC4HDAC3 | |
| SCHEMBL3104135 | 0.74 | HDAC6 (1.00) | HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL3098097 | 0.73 | NPC1 (0.45) | HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL3094045 | 0.72 | RAB9A (0.50) | HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL13154055 | 0.71 | HDAC6 (0.51) | HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL13880394 | 0.70 | CYP19A1 (0.54) | HDAC1HDAC6CYP19A1MAPTHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1987024-B1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | MSD ITALIA SRL (IT) | 2016-10-19 | — | — | EP | disclosed |
| EP-1987024-A1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093827-A1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-08-23 | — | — | WO | disclosed |