Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.50 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 2/20 | 0.45 |
| ▸ | MMP8 | P22894 | 2/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6096865 | 0.98 | KEAP1 (0.54) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL4742560 | 0.92 | PSIP1 (0.52) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL10626503 | 0.89 | HDAC1 (0.65) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL576918 | 0.87 | KEAP1 (0.63) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL1779667 | 0.83 | PSIP1 (0.56) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL10629823 | 0.83 | PSIP1 (0.61) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL21431073 | 0.82 | PLCG1 (0.61) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL7295494 | 0.82 | HDAC1 (0.57) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL7298807 | 0.82 | HDAC1 (0.57) | HDAC1HDAC8HDAC2HDAC3HDAC4 | |
| SCHEMBL7004939 | 0.81 | KMT2A (0.46) | HSD11B1MMP1ALDH1A1CYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6417192-B1 | DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-07-09 | — | — | US | disclosed |