Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2435407 | 0.87 | HDAC1 (0.46) | ADORA3HDAC2HDAC1 | |
| SCHEMBL2436217 | 0.85 | MAPK14 (0.42) | ADORA3HDAC2HDAC1 | |
| SCHEMBL2436301 | 0.81 | HDAC1 (0.48) | ADORA3HDAC2HDAC1 | |
| SCHEMBL2441079 | 0.81 | HDAC1 (0.47) | ADORA3HDAC2HDAC1 | |
| SCHEMBL4463643 | 0.78 | HDAC2 (0.44) | ADORA3HDAC2HDAC1 | |
| SCHEMBL4453120 | 0.78 | HDAC1 (0.52) | ADORA3HDAC2HDAC1 | |
| SCHEMBL2440732 | 0.77 | HDAC1 (0.59) | ADORA3HDAC2HDAC1 | |
| SCHEMBL2435576 | 0.77 | HDAC1 (0.60) | ADORA3HDAC2HDAC1ADORA1 | |
| SCHEMBL5134593 | 0.77 | CYP1A2 (0.49) | ADORA3HDAC2HDAC1 | |
| SCHEMBL2436499 | 0.76 | HDAC1 (0.48) | ADORA3HDAC2HDAC1 |
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 |