Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2435359 | 0.93 | HDAC1 (0.54) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2438671 | 0.93 | HDAC1 (0.54) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2434545 | 0.93 | HDAC1 (0.54) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2436301 | 0.92 | HDAC1 (0.48) | HDAC1HDAC2HDAC3HDAC7HDAC10 | |
| SCHEMBL2435440 | 0.91 | HDAC1 (0.55) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2440097 | 0.91 | HDAC1 (0.56) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2436516 | 0.90 | HDAC1 (0.54) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2436494 | 0.90 | HDAC1 (0.52) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2435563 | 0.90 | HDAC1 (0.56) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2435416 | 0.90 | HDAC1 (0.54) | HDAC1HDAC2HDAC3HDAC4HDAC7 |
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 |