Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | MC3R | P41968 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4165147 | 0.91 | CES1 (0.43) | CES1HDAC1HDAC2MC4RMC3R | |
| SCHEMBL4166187 | 0.86 | CES1 (0.33) | CES1HDAC1HDAC2 | |
| SCHEMBL4173034 | 0.85 | CES1 (0.33) | CES1HDAC1HDAC2 | |
| SCHEMBL4154197 | 0.81 | HDAC1 (0.37) | CES1HDAC1HDAC2 | |
| SCHEMBL4159627 | 0.79 | CES1 (0.47) | CES1HDAC1HDAC2OPRM1 | |
| Trifluoroacetic Acid SCHEMBL4163744 | 0.78 | HDAC1 (0.34) | CES1HDAC1HDAC2PDK1 | |
| SCHEMBL4171428 | 0.77 | CES1 (0.44) | CES1HDAC1HDAC2 | |
| SCHEMBL4174427 | 0.76 | SIGMAR1 (0.36) | CES1HDAC1HDAC2OPRM1 | |
| SCHEMBL4174443 | 0.75 | KDM4E (0.38) | CES1HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL4160622 | 0.73 | PADI4 (0.39) | CES1HDAC1HDAC2 |
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 |