Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 16/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.38 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.36 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.36 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.36 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.36 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.36 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.36 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.36 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2686087 | 0.90 | HDAC1 (0.46) | HDAC1HDAC2HDAC3NCOR2HDAC4 | |
| SCHEMBL5544366 | 0.89 | HDAC1 (0.45) | HDAC1HDAC2HDAC3NCOR2ADCY6 | |
| SCHEMBL5548010 | 0.87 | HDAC1 (0.41) | HDAC1HDAC2HDAC3NCOR2ADCY6 | |
| SCHEMBL13913374 | 0.87 | HDAC1 (0.42) | HDAC1HDAC2HDAC3P2RY14ABCB1 | |
| SCHEMBL2685764 | 0.85 | HDAC1 (0.60) | HDAC1HDAC2HDAC3NCOR2 | |
| SCHEMBL4779009 | 0.83 | HDAC1 (0.45) | HDAC1HDAC2HDAC3NCOR2HDAC4 | |
| SCHEMBL651518 | 0.79 | HDAC1 (0.52) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2686960 | 0.79 | HDAC1 (0.41) | HDAC1HDAC2HDAC3HDAC6P2RY14 | |
| SCHEMBL10121375 | 0.78 | HDAC1 (0.49) | HDAC1HDAC2HDAC3HDAC4NAMPT | |
| SCHEMBL2686835 | 0.78 | HDAC1 (0.50) | HDAC1HDAC2HDAC3NCOR2ADCY6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8168658-B2 | Inhibitors of histone deacetylase | MERCK SHARP & DOHME CORP. (US) | 2012-05-01 | — | — | US | disclosed |
| WO-2007100657-A2 | INHIBITORS OF HISTONE DEACETYLASE | MERCK & CO., INC. (US) | 2007-09-07 | — | — | WO | disclosed |