Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 18/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.68 |
| ▸ | NCOR2 | Q9Y618 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL30091844 | 0.82 | NPC1 (0.57) | HDAC1HDAC3HDAC2NPC1NR1I2 | |
| SCHEMBL1754325 | 0.81 | HDAC1 (1.00) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL1689265 | 0.81 | HDAC1 (0.89) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL2108547 | 0.81 | HDAC1 (0.76) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL1689210 | 0.79 | HDAC1 (0.90) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL12506316 | 0.79 | CACNA1B (0.57) | HDAC1HDAC3HDAC2NCOR2NPC1 | |
| SCHEMBL5031017 | 0.78 | HDAC1 (0.69) | HDAC1HDAC3HDAC2NCOR2NPC1 | |
| SCHEMBL1689184 | 0.77 | HDAC1 (0.90) | HDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL1754078 | 0.76 | HDAC1 (0.71) | HDAC1HDAC3HDAC2NCOR2KMT2A | |
| SCHEMBL1689223 | 0.76 | HDAC1 (0.71) | HDAC1HDAC3HDAC2KMT2A |
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 |