Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 13/20 | 0.73 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 5/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1689337 | 0.87 | HDAC1 (0.96) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL2109226 | 0.84 | HDAC1 (1.00) | HDAC1HDAC3HDAC2NPC1HPGD | |
| SCHEMBL2108547 | 0.77 | HDAC1 (0.76) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL1754325 | 0.75 | HDAC1 (1.00) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL2109945 | 0.74 | HDAC1 (1.00) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL1689389 | 0.73 | HDAC1 (0.67) | HDAC1HDAC3HDAC2 | |
| SCHEMBL23447715 | 0.72 | NPC1 (1.00) | NPC1HPGDRAB9AKCNK3MEN1 | |
| SCHEMBL2108411 | 0.72 | HDAC1 (0.74) | HDAC1HDAC3HDAC2 | |
| SCHEMBL2108136 | 0.72 | HDAC1 (0.96) | HDAC1HDAC3HDAC2NPC1RAB9A | |
| SCHEMBL1689351 | 0.72 | HDAC1 (0.96) | HDAC1HDAC3HDAC2NCOR2 |
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 |