Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.78 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.78 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.78 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.78 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | ESRRG | P62508 | 2/20 | 0.49 |
| ▸ | MLYCD | O95822 | 1/20 | 0.49 |
| ▸ | ESRRB | O95718 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | F13A1 | P00488 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4774806 | 0.88 | HDAC1 (1.00) | HDAC1HDAC6HDAC4HDAC3NPC1 | |
| SCHEMBL2204286 | 0.85 | HDAC1 (0.78) | HDAC1HDAC6HDAC4HDAC3NPC1 | |
| SCHEMBL2203343 | 0.83 | HDAC1 (0.80) | HDAC1HDAC6HDAC4HDAC3NPC1 | |
| SCHEMBL2228785 | 0.81 | HDAC1 (0.73) | HDAC1HDAC6HDAC4HDAC3NPC1 | |
| SCHEMBL4770571 | 0.76 | HDAC1 (0.67) | HDAC1HDAC6HDAC4HDAC3NPC1 | |
| SCHEMBL2201378 | 0.76 | HDAC1 (0.68) | HDAC1HDAC6HDAC4HDAC3NPC1 | |
| SCHEMBL2201108 | 0.75 | HDAC6 (1.00) | HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL2203603 | 0.75 | HDAC1 (0.77) | HDAC1HDAC6HDAC4HDAC3NPC1 | |
| SCHEMBL4776598 | 0.75 | MAPK1 (0.68) | HDAC1HDAC6HDAC4HDAC3ALDH1A1 | |
| SCHEMBL6433557 | 0.75 | KDM4E (0.61) | NPC1RAB9ASMN1; SMN2ALDH1A1ESRRG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1926721-A2 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007029035-A2 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-03-15 | — | — | WO | disclosed |