Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 19/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2107847 | 0.80 | HDAC1 (0.69) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL5031011 | 0.80 | HDAC1 (0.55) | HDAC1HDAC3HDAC2NCOR2HDAC4 | |
| SCHEMBL5033416 | 0.79 | HDAC1 (0.56) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL1689164 | 0.79 | HDAC1 (0.60) | HDAC1HDAC3HDAC2NCOR2HDAC4 | |
| SCHEMBL5031042 | 0.78 | HDAC1 (0.71) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL16892962 | 0.78 | HDAC1 (0.63) | HDAC1HDAC3HDAC2NCOR2HDAC4 | |
| SCHEMBL1689201 | 0.77 | HDAC1 (0.57) | HDAC1HDAC3HDAC2NCOR2HDAC4 | |
| SCHEMBL5128899 | 0.75 | HDAC1 (0.56) | HDAC1HDAC3HDAC2NCOR2HDAC6 | |
| SCHEMBL1689183 | 0.75 | HDAC1 (0.54) | HDAC1HDAC3HDAC2MAPK1NCOR2 | |
| SCHEMBL5031007 | 0.74 | HDAC1 (0.66) | HDAC1HDAC3HDAC2HDAC4HDAC7 |
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 2 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 | disclosed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |