Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2436301 | 0.90 | HDAC1 (0.48) | HDAC1HDAC6ADORA3HDAC2HDAC3 | |
| SCHEMBL2435576 | 0.83 | HDAC1 (0.60) | HDAC1HDAC6ADORA3HDAC2HDAC3 | |
| SCHEMBL2436677 | 0.83 | HDAC1 (0.41) | HDAC1ADORA3HDAC2HDAC3NCOR2 | |
| SCHEMBL2438692 | 0.82 | HDAC1 (0.56) | HDAC1HDAC6ADORA3HDAC2HDAC3 | |
| SCHEMBL2435407 | 0.82 | HDAC1 (0.46) | HDAC1HDAC6ADORA3HDAC2HDAC3 | |
| SCHEMBL2441079 | 0.81 | HDAC1 (0.47) | HDAC1ADORA3HDAC2HDAC3KDM4E | |
| SCHEMBL2440732 | 0.80 | HDAC1 (0.59) | HDAC1HDAC6ADORA3HDAC2HDAC3 | |
| SCHEMBL2211515 | 0.79 | HDAC1 (0.52) | HDAC1ADORA3HDAC2KDM4ELMNA | |
| SCHEMBL4313640 | 0.79 | HDAC1 (0.47) | HDAC1ADORA3HDAC2KDM4ELMNA | |
| SCHEMBL2440724 | 0.78 | HDAC1 (0.38) | HDAC1ADORA3HDAC2HDAC3NCOR2 |
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 3 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 |
| US-8026260-B2 | Histone deacetylase inhibitors with aryl-pyrazolyl-motifs | MERCK SHARP & DOHME CORP. (US) | 2011-09-27 | — | — | US | claimed |
| US-8026260-B2 | Histone deacetylase inhibitors with aryl-pyrazolyl-motifs | MERCK SHARP & DOHME CORP. (US) | 2011-09-27 | — | — | US | disclosed |