Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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) | HDAC1LMNAHDAC2ADORA3KDM4E | |
| SCHEMBL2436678 | 0.90 | HDAC1 (0.41) | HDAC1LMNAHDAC2ADORA3KDM4E | |
| SCHEMBL2435576 | 0.83 | HDAC1 (0.60) | HDAC1HDAC2ADORA3KDM4EALDH1A1 | |
| SCHEMBL2436499 | 0.83 | HDAC1 (0.48) | HDAC1LMNAHDAC2ADORA3KDM4E | |
| SCHEMBL2435407 | 0.80 | HDAC1 (0.46) | HDAC1LMNAHDAC2ADORA3KDM4E | |
| SCHEMBL4461210 | 0.80 | HDAC1 (0.50) | HDAC1HDAC2NAMPTHDAC3NCOR2 | |
| SCHEMBL2435359 | 0.80 | HDAC1 (0.54) | HDAC1LMNAHDAC2ADORA3ALDH1A1 | |
| SCHEMBL2441079 | 0.79 | HDAC1 (0.47) | HDAC1LMNAHDAC2ADORA3KDM4E | |
| SCHEMBL2440724 | 0.79 | HDAC1 (0.38) | HDAC1LMNAHDAC2ADORA3KDM4E | |
| SCHEMBL2440725 | 0.79 | HDAC1 (0.38) | HDAC1LMNAHDAC2ADORA3KDM4E |
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 |