Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2107279 | 0.78 | HDAC1 (0.58) | HDAC1HDAC3HDAC2HDAC4 | |
| SCHEMBL14842551 | 0.76 | POLB (0.70) | HDAC1POLBHDAC3HDAC2MAPT | |
| SCHEMBL1753888 | 0.72 | HDAC1 (0.73) | HDAC1POLBHDAC3HDAC2MAPT | |
| SCHEMBL4398548 | 0.71 | DAO (0.56) | DAOHDAC1HDAC3MAPTALDH1A1 | |
| SCHEMBL28570991 | 0.70 | POLB (0.66) | HDAC1POLBHDAC3HDAC2MAPT | |
| SCHEMBL4836305 | 0.69 | HDAC1 (0.59) | HDAC1POLBHDAC3HDAC2MAPT | |
| SCHEMBL2142246 | 0.68 | DAO (0.66) | DAOHDAC1HDAC3HDAC2MAPT | |
| SCHEMBL19555771 | 0.68 | DAO (1.00) | DAOHDAC1HDAC3HDAC2MAPT | |
| SCHEMBL1345115 | 0.66 | GAA (0.62) | HDAC1POLBHDAC3HDAC2MAPT | |
| SCHEMBL5680365 | 0.66 | MEN1 (0.64) | HDAC1POLBMAPTMEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| 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 |