Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CDYL | Q9Y232 | 2/20 | 0.38 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.38 |
| ▸ | CBX7 | O95931 | 1/20 | 0.37 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
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 SCHEMBL4606076 | 0.85 | KCNH2 (0.46) | — | |
| Trifluoroacetic Acid SCHEMBL4164046 | 0.84 | SLC2A1 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL4159827 | 0.82 | BCHE (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL4618890 | 0.82 | ALDH1A1 (0.35) | ALDH1A1CDYLCDY1; CDY1BCBX7CDYL2 | |
| Trifluoroacetic Acid SCHEMBL4166752 | 0.82 | KCNH2 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL4161040 | 0.80 | SIGMAR1 (0.43) | CHRM1 | |
| Trifluoroacetic Acid SCHEMBL4156617 | 0.80 | ACHE (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL4154008 | 0.79 | CHRM2 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL4622701 | 0.78 | CHRM1 (0.46) | CHRM1 | |
| SCHEMBL4171678 | 0.77 | HPGD (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C19HPGD |
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-1945609-A2 | AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007029036-A2 | AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-03-15 | — | — | WO | disclosed |