Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 14/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1689083 | 0.92 | HDAC1 (0.71) | HDAC1HDAC2HDAC3HDAC8HDAC4 | |
| SCHEMBL2109513 | 0.89 | HDAC1 (0.67) | HDAC1HDAC2HDAC3HDAC8HDAC4 | |
| SCHEMBL2108341 | 0.87 | HDAC1 (0.74) | HDAC1HDAC2NPC1RAB9AHDAC3 | |
| SCHEMBL1754060 | 0.86 | HDAC1 (0.83) | HDAC1HDAC2HDAC3NCOR2 | |
| SCHEMBL1689155 | 0.81 | HDAC1 (0.62) | HDAC1HDAC2NPC1HDAC3NCOR2 | |
| SCHEMBL1689286 | 0.81 | HDAC1 (0.74) | HDAC1HDAC2HDAC3HDAC8HDAC4 | |
| SCHEMBL1689212 | 0.81 | HDAC1 (0.64) | HDAC1HDAC2HDAC3HDAC8HDAC4 | |
| SCHEMBL2108744 | 0.79 | PTGS1 (0.66) | HDAC1HDAC2HDAC3HDAC8HDAC4 | |
| SCHEMBL1689418 | 0.79 | HDAC1 (0.78) | HDAC1HDAC2NPC1RAB9AHDAC3 | |
| SCHEMBL28188848 | 0.79 | MEN1 (0.77) | HDAC1HDAC2HDAC3HDAC8HDAC4 |
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 |