Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 SCHEMBL2204257 | 0.96 | HDAC6 (0.56) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL17707630 | 0.86 | HDAC6 (0.63) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| Trifluoroacetic Acid SCHEMBL17707596 | 0.83 | HDAC6 (0.60) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL17707555 | 0.82 | KMT2A (0.60) | HDAC6CYP2C9HDAC1MAPTUSP2 | |
| Trifluoroacetic Acid SCHEMBL2202886 | 0.80 | KMT2A (0.57) | HDAC6CYP2C9HDAC1MAPTUSP2 | |
| SCHEMBL2200435 | 0.79 | HDAC6 (0.59) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL2204493 | 0.78 | HDAC6 (0.53) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL614496 | 0.77 | AKR1C3 (0.58) | AKR1C3ALDH1A1MAPK1ARTSHR | |
| SCHEMBL2202414 | 0.77 | KMT2A (0.69) | HDAC6CYP2C9HDAC1HDAC4ALDH1A1 | |
| SCHEMBL2202842 | 0.75 | HDAC6 (0.53) | HDAC6CYP2C9HDAC1HDAC4HDAC3 |
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 |