Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 3/20 | 0.38 |
| ▸ | CDK8 | P49336 | 3/20 | 0.38 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL6726458 | 0.85 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6181182 | 0.85 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2998701 | 0.81 | KDM4E (0.41) | KDM4ECYP3A4HCAR2RAB9APTGS2 | |
| SCHEMBL6182382 | 0.76 | KDM4E (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15893 | 0.73 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2485956 | 0.73 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21564468 | 0.72 | MAPT (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15758898 | 0.72 | KDM4E (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28607205 | 0.72 | HDAC3 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16382705 | 0.72 | HDAC3 (0.56) | CA12CA1CA2CA7CA9 |
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-1492787-A2 | (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003087088-A2 | (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 2003-10-23 | — | — | WO | disclosed |