Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | GFER | P55789 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | RUVBL2 | Q9Y230 | 1/20 | 0.43 |
| ▸ | RUVBL1 | Q9Y265 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 SCHEMBL2201962 | 0.97 | HDAC6 (0.45) | HDAC6CYP2C9MAPTGFERLMNA | |
| SCHEMBL17707628 | 0.81 | HDAC6 (0.50) | HDAC6CYP2C9LMNATSHRHDAC1 | |
| Trifluoroacetic Acid SCHEMBL2202754 | 0.78 | HDAC6 (0.47) | HDAC6CYP2C9LMNATSHRHDAC1 | |
| SCHEMBL2200435 | 0.73 | HDAC6 (0.59) | HDAC6CYP2C9MAPTHDAC1ALDH1A1 | |
| SCHEMBL2201969 | 0.72 | HDAC6 (0.41) | HDAC6CYP2C9HDAC1ALDH1A1HDAC4 | |
| SCHEMBL2202321 | 0.71 | HDAC6 (0.46) | HDAC6CYP2C9KMT2AHDAC1HDAC4 | |
| SCHEMBL17707609 | 0.70 | P2RX7 (0.55) | HDAC6CYP2C9MAPK1HDAC1ALDH1A1 | |
| SCHEMBL17707597 | 0.70 | L3MBTL3 (0.61) | HDAC6CYP2C9MEN1KMT2AHDAC1 | |
| SCHEMBL17707563 | 0.69 | L3MBTL3 (0.56) | HDAC6CYP2C9TP53HDAC1ALDH1A1 | |
| SCHEMBL17707641 | 0.69 | HDAC6 (0.78) | HDAC6CYP2C9MAPTLMNATSHR |
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 4 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 |
| 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 |