Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 13/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.67 |
| ▸ | HDAC4 | P56524 | 11/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 11/20 | 0.61 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
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 SCHEMBL2200511 | 0.96 | MAPK1 (0.63) | MAPK1HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL3969851 | 0.82 | MAPK1 (0.70) | MAPK1HDAC6AKT3HTR2CKDM4E | |
| SCHEMBL2201378 | 0.81 | HDAC1 (0.68) | MAPK1HDAC1HDAC6HDAC4HDAC3 | |
| SCHEMBL2201108 | 0.80 | HDAC6 (1.00) | HDAC1HDAC6HDAC4HDAC3CYP2C9 | |
| SCHEMBL12124400 | 0.79 | MAPK1 (0.70) | MAPK1AKT3HTR2CKDM4EALDH1A1 | |
| SCHEMBL13154059 | 0.78 | HDAC6 (0.72) | HDAC1HDAC6HDAC4HDAC3CYP2C9 | |
| SCHEMBL12181523 | 0.77 | MAPK1 (0.67) | MAPK1AKT3HTR2CKDM4EALDH1A1 | |
| SCHEMBL4774806 | 0.76 | HDAC1 (1.00) | HDAC1HDAC6HDAC4HDAC3ALDH1A1 | |
| SCHEMBL3977024 | 0.76 | MAPK1 (0.62) | MAPK1AKT3HTR2CKDM4EALDH1A1 | |
| SCHEMBL5070227 | 0.76 | MAPK1 (0.62) | MAPK1HDAC1HDAC6HDAC4HDAC3 |
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 |