Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
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 SCHEMBL4776699 | 1.00 | HDAC6 (0.46) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL17707587 | 0.97 | HDAC6 (0.48) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| Trifluoroacetic Acid SCHEMBL2202123 | 0.88 | AKR1C3 (0.47) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL17707649 | 0.84 | AKR1C3 (0.50) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL2201766 | 0.84 | FAAH (0.41) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL4775033 | 0.84 | FAAH (0.41) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| Trifluoroacetic Acid SCHEMBL17707573 | 0.84 | HDAC6 (0.48) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL17707571 | 0.80 | HDAC6 (0.50) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| Trifluoroacetic Acid SCHEMBL2204116 | 0.80 | HDAC6 (0.43) | HDAC6CYP2C9HDAC1HDAC4HDAC3 | |
| SCHEMBL17707612 | 0.77 | SLC6A7 (0.44) | 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 2 patents. 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 |
| EP-1926721-B1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | MSD ITALIA SRL (IT) | 2016-05-04 | — | — | EP | disclosed |