Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 16/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4552688 | 0.92 | ADORA3 (0.48) | ADORA3HDAC1HDAC2ADORA1KDM4E | |
| SCHEMBL2208723 | 0.91 | ADORA3 (0.46) | ADORA3HDAC1HDAC2ADORA1ALDH1A1 | |
| SCHEMBL13985027 | 0.84 | ADORA3 (0.51) | ADORA3HDAC1HDAC2KDM4ELMNA | |
| SCHEMBL5135484 | 0.82 | ADORA3 (0.49) | ADORA3HDAC1HDAC2KDM4ELMNA | |
| SCHEMBL2441079 | 0.80 | HDAC1 (0.47) | ADORA3HDAC1HDAC2KDM4ELMNA | |
| SCHEMBL4313640 | 0.80 | HDAC1 (0.47) | ADORA3HDAC1HDAC2KDM4ELMNA | |
| SCHEMBL2436869 | 0.79 | CACNA1B (0.55) | ADORA3HDAC1HDAC2KDM4ELMNA | |
| SCHEMBL4453120 | 0.77 | HDAC1 (0.52) | ADORA3HDAC1HDAC2 | |
| SCHEMBL8247044 | 0.77 | HDAC1 (0.52) | ADORA3HDAC1HDAC2KDM4ELMNA | |
| SCHEMBL12291257 | 0.77 | HDAC1 (0.56) | ADORA3HDAC1HDAC2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2009544611-A | — | — | 2009-12-17 | — | — | JP | claimed |
| EP-2049124-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | claimed |
| WO-2008010985-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | claimed |
| EP-2049124-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008010985-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | disclosed |