Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2438296 | 0.84 | HDAC1 (0.46) | ADORA3HDAC1KDM4ELMNAMAPT | |
| SCHEMBL2436217 | 0.82 | MAPK14 (0.42) | ADORA3HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL8235738 | 0.81 | KDM4E (0.43) | ADORA3HDAC1KDM4ELMNAMAPT | |
| SCHEMBL2436288 | 0.80 | HDAC1 (0.49) | ADORA3HDAC1KDM4EHDAC3HDAC2 | |
| SCHEMBL4457846 | 0.80 | HDAC1 (0.48) | ADORA3HDAC1KDM4ELMNAMAPT | |
| SCHEMBL8168949 | 0.74 | DGAT1 (0.48) | ADORA3KDM4ELMNAMAPT | |
| SCHEMBL2435407 | 0.72 | HDAC1 (0.46) | ADORA3HDAC1KDM4ELMNAMAPT | |
| SCHEMBL12291095 | 0.71 | CNR2 (0.44) | KDM4ELMNAMAPT | |
| SCHEMBL8169286 | 0.69 | KCNQ3 (0.42) | KDM4ELMNAMAPT | |
| SCHEMBL2434385 | 0.69 | ADORA3 (0.45) | ADORA3HDAC1HDAC2ADORA2AADORA1 |
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 |