Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1689268 | 0.85 | HDAC1 (0.44) | HDAC1ADORA3KDM4ELMNAMAPT | |
| SCHEMBL2107883 | 0.82 | HDAC1 (0.62) | HDAC1ADORA3KDM4ELMNAMAPT | |
| SCHEMBL2435407 | 0.79 | HDAC1 (0.46) | HDAC1ADORA3KDM4ELMNAMAPT | |
| SCHEMBL1689494 | 0.79 | HDAC1 (0.64) | HDAC1HDAC2HDAC3NCOR2 | |
| SCHEMBL2441079 | 0.79 | HDAC1 (0.47) | HDAC1ADORA3KDM4ELMNAMAPT | |
| SCHEMBL2436301 | 0.77 | HDAC1 (0.48) | HDAC1ADORA3KDM4ELMNAMAPT | |
| SCHEMBL13985027 | 0.76 | ADORA3 (0.51) | HDAC1ADORA3KDM4ELMNAMAPT | |
| SCHEMBL4453120 | 0.76 | HDAC1 (0.52) | HDAC1ADORA3HDAC2HDAC3MEN1 | |
| SCHEMBL1689446 | 0.75 | HDAC1 (0.61) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2436499 | 0.74 | HDAC1 (0.48) | HDAC1ADORA3KDM4ELMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | claimed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | claimed |
| EP-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |