Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
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 SCHEMBL4161040 | 0.93 | SIGMAR1 (0.43) | KCNH2CHRM2CHRM3SIGMAR1CES1 | |
| Trifluoroacetic Acid SCHEMBL4164046 | 0.91 | SLC2A1 (0.40) | KCNH2CHRM2CHRM3SIGMAR1CES1 | |
| Trifluoroacetic Acid SCHEMBL4166752 | 0.90 | KCNH2 (0.39) | KCNH2CHRM2CHRM3SIGMAR1CES1 | |
| Trifluoroacetic Acid SCHEMBL4159827 | 0.89 | BCHE (0.42) | KCNH2CHRM2CHRM3CES1SLC2A1 | |
| Trifluoroacetic Acid SCHEMBL4156617 | 0.89 | ACHE (0.41) | KCNH2SLC2A1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL4154008 | 0.87 | CHRM2 (0.38) | KCNH2CHRM2CHRM3SIGMAR1CES1 | |
| Trifluoroacetic Acid SCHEMBL4622705 | 0.85 | ALDH1A1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL4171441 | 0.85 | CHRM3 (0.42) | CHRM2CHRM3SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL4164879 | 0.76 | CES1 (0.37) | KCNH2CES1OPRM1 | |
| Trifluoroacetic Acid SCHEMBL4156616 | 0.74 | CHRM4 (0.41) | KCNH2MEN1KMT2A |
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 |