Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.54 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 9/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
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 SCHEMBL2202392 | 0.98 | HDAC1 (0.52) | HDAC1HDAC6HDAC4HDAC3ACKR3 | |
| SCHEMBL17707638 | 0.85 | F10 (0.52) | HDAC1HDAC6HDAC4HDAC3F10 | |
| Trifluoroacetic Acid SCHEMBL2201899 | 0.83 | F10 (0.50) | HDAC1HDAC6HDAC4HDAC3F10 | |
| SCHEMBL9686830 | 0.82 | DRD4 (0.55) | HDAC6EPHX2ALDH1A1DRD4DRD3 | |
| SCHEMBL5429645 | 0.79 | DRD4 (0.61) | EPHX2ALDH1A1DRD4DRD3DRD2 | |
| SCHEMBL2770194 | 0.79 | DRD4 (0.61) | EPHX2ALDH1A1DRD4DRD3DRD2 | |
| SCHEMBL2769124 | 0.79 | DRD4 (0.61) | EPHX2ALDH1A1DRD4DRD3DRD2 | |
| SCHEMBL1502120 | 0.77 | DRD4 (0.59) | EPHX2ALDH1A1DRD4DRD3DRD2 | |
| SCHEMBL31260985 | 0.77 | ALDH1A1 (0.51) | HDAC6ACKR3EPHX2ALDH1A1DRD4 | |
| SCHEMBL13538758 | 0.77 | DRD4 (0.57) | HDAC1HDAC6HDAC4HDAC3EPHX2 |
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 |