Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2436288 | 0.93 | HDAC1 (0.49) | HDAC1HDAC3HDAC2NCOR2KDM4E | |
| SCHEMBL8235738 | 0.88 | KDM4E (0.43) | HDAC1KDM4ELMNAMAPTADORA3 | |
| SCHEMBL4457846 | 0.86 | HDAC1 (0.48) | HDAC1KDM4ELMNAMAPTADORA3 | |
| SCHEMBL2436833 | 0.84 | ADORA3 (0.39) | HDAC1HDAC3HDAC2NCOR2KDM4E | |
| SCHEMBL8168949 | 0.80 | DGAT1 (0.48) | KDM4ELMNAMAPTADORA3ALDH1A1 | |
| SCHEMBL2436301 | 0.79 | HDAC1 (0.48) | HDAC1HDAC3HDAC2NCOR2KDM4E | |
| SCHEMBL3639824 | 0.79 | HDAC1 (0.47) | HDAC1HDAC3HDAC2NCOR2ADORA3 | |
| SCHEMBL12291095 | 0.77 | CNR2 (0.44) | KDM4ELMNAMAPTALDH1A1 | |
| SCHEMBL8236908 | 0.74 | LMNA (0.43) | KDM4ELMNAADORA3 | |
| SCHEMBL12291097 | 0.73 | P2RX7 (0.39) | HDAC1HDAC3HDAC2NCOR2KDM4E |
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 |