Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.49 |
| ▸ | NAMPT | P43490 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2438296 | 0.93 | HDAC1 (0.46) | HDAC1NAMPTHDAC3HDAC2NCOR2 | |
| SCHEMBL2435576 | 0.82 | HDAC1 (0.60) | HDAC1NAMPTHDAC3HDAC2NCOR2 | |
| SCHEMBL8235738 | 0.82 | KDM4E (0.43) | HDAC1NAMPTADORA3ALDH1A1ADORA1 | |
| SCHEMBL3765663 | 0.82 | HDAC1 (0.49) | HDAC1NAMPTHTTHDAC3HDAC2 | |
| SCHEMBL3649530 | 0.81 | HDAC1 (0.53) | HDAC1NAMPTHDAC3HDAC2NCOR2 | |
| SCHEMBL4457846 | 0.80 | HDAC1 (0.48) | HDAC1NAMPTADORA3HDAC10HDAC6 | |
| SCHEMBL2436833 | 0.80 | ADORA3 (0.39) | HDAC1NAMPTHDAC3HDAC2NCOR2 | |
| SCHEMBL2438671 | 0.77 | HDAC1 (0.54) | HDAC1NAMPTHTTHDAC3HDAC2 | |
| SCHEMBL2436494 | 0.77 | HDAC1 (0.52) | HDAC1HTTHDAC3HDAC2ADORA3 | |
| SCHEMBL2435416 | 0.77 | HDAC1 (0.54) | HDAC1HTTHDAC3HDAC2NCOR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8026260-B2 | Histone deacetylase inhibitors with aryl-pyrazolyl-motifs | MERCK SHARP & DOHME CORP. (US) | 2011-09-27 | — | — | US | disclosed |