Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5031042 | 0.85 | HDAC1 (0.71) | PTGS1HDAC1HDAC3HDAC2 | |
| SCHEMBL5126808 | 0.84 | PTGS1 (0.56) | PTGS1HDAC1HDAC3HDAC2RXFP1 | |
| SCHEMBL5031007 | 0.82 | HDAC1 (0.66) | HDAC1HDAC3HDAC2 | |
| SCHEMBL5035397 | 0.81 | HDAC1 (0.65) | PTGS1HDAC1HDAC3HDAC2 | |
| SCHEMBL2107769 | 0.80 | HDAC1 (0.75) | PTGS1HDAC1HDAC3HDAC2RXFP1 | |
| SCHEMBL5028860 | 0.77 | PTGS1 (0.53) | PTGS1HDAC1HDAC3HDAC2 | |
| SCHEMBL1689465 | 0.77 | HDAC1 (0.74) | PTGS1HDAC1HDAC3HDAC2 | |
| SCHEMBL5031052 | 0.77 | HDAC1 (0.60) | HDAC1HDAC3HDAC2 | |
| SCHEMBL1689312 | 0.76 | HDAC2 (0.62) | HDAC1HDAC3HDAC2 | |
| SCHEMBL5028824 | 0.76 | HDAC1 (0.56) | HDAC1HDAC3HDAC2 |
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 |