Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | YEATS4 | O95619 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2202455 | 0.83 | HDAC6 (0.43) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL2202584 | 0.83 | HDAC6 (0.54) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL2203310 | 0.82 | HDAC6 (0.63) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL2203491 | 0.78 | HDAC6 (0.64) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL2204260 | 0.77 | HDAC6 (0.47) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL2202316 | 0.76 | HDAC6 (0.44) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL2200427 | 0.75 | HDAC6 (0.55) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL2203145 | 0.75 | HDAC6 (0.46) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL2203753 | 0.75 | HDAC6 (0.46) | HDAC6HDAC1CYP2C9HPGDALDH1A1 | |
| SCHEMBL17707626 | 0.74 | CYP2C9 (0.64) | HDAC6HDAC1CYP2C9ALDH1A1MAPT |
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 |