Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.78 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | LYPLA2 | O95372 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2202581 | 0.97 | HDAC6 (0.73) | HDAC6CYP2C9HDAC1L3MBTL1ALDH1A1 | |
| SCHEMBL17707644 | 0.87 | HDAC6 (1.00) | HDAC6CYP2C9HDAC1ALDH1A1GAA | |
| Trifluoroacetic Acid SCHEMBL2203304 | 0.85 | HDAC6 (0.94) | HDAC6CYP2C9HDAC1ALDH1A1GAA | |
| SCHEMBL17707645 | 0.83 | HDAC6 (0.79) | HDAC6CYP2C9HDAC1L3MBTL1ALDH1A1 | |
| SCHEMBL30020342 | 0.81 | L3MBTL1 (0.58) | HDAC6CYP2C9L3MBTL1ALDH1A1GAA | |
| SCHEMBL2202856 | 0.81 | HDAC6 (0.58) | HDAC6CYP2C9HDAC1HTTKDM4E | |
| Trifluoroacetic Acid SCHEMBL2200420 | 0.81 | HDAC6 (0.75) | HDAC6CYP2C9HDAC1ALDH1A1KDM4E | |
| SCHEMBL17707654 | 0.80 | HDAC6 (0.69) | HDAC6CYP2C9HDAC1ALDH1A1HTT | |
| SCHEMBL17707626 | 0.79 | CYP2C9 (0.64) | HDAC6CYP2C9HDAC1ALDH1A1HTT | |
| SCHEMBL2204300 | 0.78 | HDAC6 (0.64) | HDAC6CYP2C9HDAC1L3MBTL1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1926721-B1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | MSD ITALIA SRL (IT) | 2016-05-04 | — | — | EP | claimed |