Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9947718 | 0.83 | KDM4E (0.36) | PTGDR2POLB | |
| SCHEMBL1977058 | 0.78 | ALDH1A1 (0.34) | CYP1B1PTGDR2 | |
| SCHEMBL1367105 | 0.74 | CYP1B1 (0.39) | CYP1B1PTGDR2 | |
| SCHEMBL2031946 | 0.70 | CNR2 (0.36) | — | |
| SCHEMBL2314611 | 0.64 | CYP1A2 (0.36) | PTGDR2 | |
| SCHEMBL19013260 | 0.61 | TNF (0.46) | POLB | |
| SCHEMBL9947829 | 0.61 | — | — | |
| SCHEMBL9947652 | 0.61 | GAA (0.47) | — | |
| SCHEMBL11457576 | 0.60 | ALDH1A1 (0.43) | POLB | |
| SCHEMBL1979648 | 0.59 | HCAR2 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513061-A1 | PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2012-10-24 | — | — | EP | claimed |
| US-8207347-B2 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-06-26 | — | — | US | claimed |
| EP-2513061-A1 | PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2012-10-24 | — | — | EP | disclosed |
| US-8207347-B2 | Pyridone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-06-26 | — | — | US | disclosed |