Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 16/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1689494 | 0.84 | HDAC1 (0.64) | HDAC1HDAC2HDAC3NCOR2MAPK1 | |
| SCHEMBL2108597 | 0.79 | HDAC1 (0.69) | HDAC1HDAC2HDAC3NCOR2LMNA | |
| SCHEMBL1689446 | 0.73 | HDAC1 (0.61) | HDAC1HDAC2HDAC3 | |
| SCHEMBL8248760 | 0.72 | HDAC1 (0.67) | HDAC1HDAC2HDAC3NCOR2LMNA | |
| SCHEMBL1689344 | 0.71 | HDAC1 (0.53) | HDAC1HDAC2HDAC3NCOR2KMT2A | |
| SCHEMBL5031042 | 0.70 | HDAC1 (0.71) | HDAC1HDAC2HDAC3NCOR2MAPK1 | |
| SCHEMBL1689267 | 0.67 | HDAC1 (0.63) | HDAC1HDAC2 | |
| SCHEMBL1689198 | 0.66 | HDAC1 (0.53) | HDAC1HDAC2HDAC3NCOR2MAPK1 | |
| SCHEMBL3533816 | 0.63 | HDAC1 (0.54) | HDAC1HDAC2HDAC3NCOR2LMNA | |
| SCHEMBL1689120 | 0.63 | HDAC1 (0.65) | HDAC1HDAC2HDAC3NCOR2MAPK1 |
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 |