Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | MMP3 | P08254 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | FBP1 | P09467 | 4/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3189884 | 0.90 | HDAC2 (0.53) | HDAC2MMP3CA12CA1CA2 | |
| SCHEMBL10382303 | 0.85 | HDAC2 (0.57) | HDAC2MMP3CA12CA1CA2 | |
| SCHEMBL7467123 | 0.84 | MMP3 (0.58) | HDAC2MMP3CA12CA1CA2 | |
| SCHEMBL7047 | 0.84 | EGFR (0.52) | HDAC2CA12CA2CA9EGFR | |
| SCHEMBL13744792 | 0.84 | MMP3 (0.58) | HDAC2MMP3CA12CA1CA2 | |
| Water SCHEMBL29120229 | 0.84 | EGFR (0.52) | HDAC2CA12CA2CA9EGFR | |
| SCHEMBL12037310 | 0.84 | DRD1 (0.47) | KIF11KDM4EALDH1A1DRD1 | |
| Hydrochloric Acid SCHEMBL28598774 | 0.82 | EGFR (0.50) | HDAC2CA12CA2CA9EGFR | |
| SCHEMBL4714156 | 0.82 | ENPP2 (0.59) | HDAC2CA12CA2CA9EGFR | |
| SCHEMBL3006203 | 0.78 | EGFR (0.47) | HDAC2CA12CA2CA9EGFR |
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-1337517-A1 | PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002030911-A1 | PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-04-18 | — | — | WO | disclosed |