Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 16/20 | 0.72 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.72 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 8/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3104383 | 0.85 | HDAC6 (0.59) | HDAC6HDAC1HDAC4HDAC3 | |
| SCHEMBL3089737 | 0.84 | HDAC6 (1.00) | HDAC6HDAC1HSD17B1HSD17B2HDAC4 | |
| SCHEMBL3098340 | 0.75 | HDAC6 (0.54) | HDAC6HDAC1HDAC4HDAC3 | |
| SCHEMBL3098140 | 0.75 | HDAC6 (0.71) | HDAC6HDAC1HSD17B1HSD17B2HDAC4 | |
| SCHEMBL2204442 | 0.75 | HDAC6 (0.77) | HDAC6HDAC1RAB9AHSD17B1HSD17B2 | |
| SCHEMBL3094136 | 0.74 | HDAC6 (0.70) | HDAC6HDAC1NPC1RAB9AHDAC4 | |
| SCHEMBL3094688 | 0.73 | HDAC6 (1.00) | HDAC6HDAC1NPC1POLBRAB9A | |
| SCHEMBL3104336 | 0.71 | HSD17B1 (0.60) | HDAC6HDAC1HSD17B1HSD17B2HDAC4 | |
| SCHEMBL3092498 | 0.70 | HDAC6 (0.57) | HDAC6HDAC1NPC1RAB9AHDAC4 | |
| SCHEMBL3088708 | 0.70 | HDAC6 (0.71) | HDAC6HDAC1HDAC4HDAC3 |
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 |