Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 18/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5031042 | 0.91 | HDAC1 (0.71) | HDAC1HDAC2HDAC3PTGS1MAPK1 | |
| SCHEMBL1689343 | 0.86 | HDAC1 (0.54) | HDAC1HDAC2HDAC3MEN1KMT2A | |
| SCHEMBL1689164 | 0.82 | HDAC1 (0.60) | HDAC1HDAC2HDAC3MEN1KMT2A | |
| SCHEMBL5031015 | 0.82 | HDAC1 (0.70) | HDAC1HDAC2HDAC3MEN1KMT2A | |
| SCHEMBL5031985 | 0.81 | PTGS1 (0.59) | HDAC1HDAC2HDAC3PTGS1 | |
| SCHEMBL1689344 | 0.81 | HDAC1 (0.53) | HDAC1HDAC2HDAC3MEN1KMT2A | |
| SCHEMBL28188848 | 0.80 | MEN1 (0.77) | HDAC1HDAC2HDAC3MEN1KMT2A | |
| SCHEMBL5031007 | 0.79 | HDAC1 (0.66) | HDAC1HDAC2HDAC3MEN1KMT2A | |
| SCHEMBL5031052 | 0.79 | HDAC1 (0.60) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2109945 | 0.79 | HDAC1 (1.00) | HDAC1HDAC2HDAC3NCOR2 |
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 |