Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 4/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4606371 | 0.87 | HDAC1 (0.38) | HDAC1HDAC2CES1ALDH1A1MAPT | |
| SCHEMBL4152045 | 0.84 | ALDH1A1 (0.41) | HDAC1HDAC2CES1ALDH1A1MAPT | |
| SCHEMBL4168896 | 0.82 | CES1 (0.39) | HDAC1HDAC2CES1FAAHCES2 | |
| SCHEMBL4163608 | 0.76 | CES1 (0.54) | HDAC1HDAC2CES1KMT2ACYP2C19 | |
| SCHEMBL4159674 | 0.75 | HDAC1 (0.42) | HDAC1HDAC2CES1ALDH1A1FAAH | |
| Trifluoroacetic Acid SCHEMBL4166172 | 0.73 | SIRT2 (0.41) | HDAC1HDAC2CES1FAAHMMP2 | |
| SCHEMBL4156249 | 0.73 | LMNA (0.58) | HDAC1HDAC2ALDH1A1MAPTMEN1 | |
| SCHEMBL4159149 | 0.72 | ALDH1A1 (0.52) | HDAC1HDAC2ALDH1A1MAPTMEN1 | |
| SCHEMBL4156245 | 0.72 | CES1 (0.44) | HDAC1HDAC2CES1ALDH1A1MAPT | |
| SCHEMBL4160443 | 0.72 | KDM4E (0.39) | HDAC1HDAC2CES1ALDH1A1KDM4E |
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 |