Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2438521 | 0.88 | HDAC1 (0.53) | HDAC1HDAC2HDAC3NPC1RAB9A | |
| SCHEMBL5134339 | 0.85 | KMT2A (0.44) | HDAC1HDAC2HDAC3NPC1RAB9A | |
| SCHEMBL5134342 | 0.85 | KMT2A (0.44) | HDAC1HDAC2HDAC3NPC1RAB9A | |
| SCHEMBL14312435 | 0.85 | HDAC1 (0.50) | HDAC1HDAC2HDAC3 | |
| SCHEMBL8233682 | 0.82 | HDAC1 (0.47) | HDAC1HDAC2HDAC3NPC1RAB9A | |
| SCHEMBL1639161 | 0.82 | HDAC1 (0.69) | HDAC1HDAC2HDAC3KCNH2HDAC10 | |
| SCHEMBL1639843 | 0.81 | HDAC1 (0.57) | HDAC1HDAC2HDAC3KCNH2 | |
| SCHEMBL4534976 | 0.81 | HDAC1 (0.53) | HDAC1HDAC2HDAC3HDAC10HDAC6 | |
| SCHEMBL1639300 | 0.80 | HDAC1 (0.75) | HDAC1HDAC2HDAC3KCNH2 | |
| SCHEMBL8247044 | 0.80 | HDAC1 (0.52) | HDAC1HDAC2NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945617-B1 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK SHARP & DOHME (US) | 2012-12-26 | — | — | EP | claimed |
| EP-1945617-B1 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK SHARP & DOHME (US) | 2012-12-26 | — | — | EP | disclosed |
| EP-1945617-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | Merck & Co., Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007055941-A2 | HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS | MERCK & CO., INC. (US) | 2007-05-18 | — | — | WO | disclosed |