Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | TYMP | P19971 | 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 | |
|---|---|---|---|---|
| SCHEMBL7651696 | 0.89 | MAT2A (0.44) | HDAC1HDAC8HDAC6TYMP | |
| SCHEMBL7656522 | 0.84 | PARP1 (0.44) | HDAC1HDAC8HDAC6TYMP | |
| SCHEMBL7299674 | 0.82 | KDM4E (0.48) | HDAC1HDAC8HDAC6CHEK1TYMP | |
| SCHEMBL31490923 | 0.81 | PSEN1 (0.46) | CHEK1 | |
| SCHEMBL31609293 | 0.81 | PSEN1 (0.54) | — | |
| SCHEMBL8831402 | 0.81 | PSEN1 (0.54) | — | |
| SCHEMBL7650175 | 0.80 | PARP1 (0.50) | TYMP | |
| SCHEMBL7651097 | 0.80 | MAPT (0.43) | — | |
| SCHEMBL9721440 | 0.79 | LMNA (0.53) | — | |
| SCHEMBL7648546 | 0.78 | ALDH1A1 (0.51) | HDAC1HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6407116-B1 | 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| EP-1026160-A1 | NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-09 | — | — | EP | disclosed |