Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 7/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17707626 | 0.97 | CYP2C9 (0.64) | HDAC6CYP2C9HDAC1MAPTUSP2 | |
| Trifluoroacetic Acid SCHEMBL17707596 | 0.82 | HDAC6 (0.60) | HDAC6CYP2C9HDAC1MAPTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL2202449 | 0.82 | HDAC6 (0.58) | HDAC6CYP2C9HDAC1MAPTALOX15 | |
| Trifluoroacetic Acid SCHEMBL2202581 | 0.80 | HDAC6 (0.73) | HDAC6CYP2C9HDAC1MAPTHTT | |
| Trifluoroacetic Acid SCHEMBL2200654 | 0.80 | HDAC6 (0.53) | HDAC6CYP2C9HDAC1MAPTHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL2203304 | 0.80 | HDAC6 (0.94) | HDAC6CYP2C9HDAC1MAPTUSP2 | |
| SCHEMBL2204300 | 0.78 | HDAC6 (0.64) | HDAC6CYP2C9HDAC1MAPTSMN1; SMN2 | |
| SCHEMBL17707630 | 0.78 | HDAC6 (0.63) | HDAC6CYP2C9HDAC1MAPTSMN1; SMN2 | |
| SCHEMBL17707603 | 0.78 | HDAC6 (0.61) | HDAC6CYP2C9HDAC1MAPTHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL2204680 | 0.77 | HDAC6 (0.60) | HDAC6CYP2C9HDAC1MAPTHSD17B10 |
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 |