Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 5/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13660311 | 0.91 | HRH3 (0.40) | PDE4BPDE4DHRH3EP300CREBBP | |
| SCHEMBL13660313 | 0.82 | PDE4B (0.44) | PDE4BPDE4DHRH3USP14PDE4A | |
| SCHEMBL13660416 | 0.81 | HRH3 (0.42) | PDE4BPDE4DHRH3EP300CREBBP | |
| SCHEMBL13660412 | 0.76 | HRH3 (0.40) | PDE4BPDE4DHRH3EP300CREBBP | |
| SCHEMBL13660456 | 0.76 | HRH3 (0.40) | PDE4BPDE4DHRH3EP300CREBBP | |
| SCHEMBL3185944 | 0.75 | PDE4B (0.39) | PDE4BPDE4DHRH3TSHRMAPK1 | |
| SCHEMBL3185951 | 0.75 | PDE4B (0.39) | PDE4BPDE4DHRH3TSHRMAPK1 | |
| SCHEMBL1993198 | 0.74 | PDE4B (0.44) | PDE4BPDE4DHRH3EP300CREBBP | |
| SCHEMBL13660307 | 0.74 | HRH3 (0.41) | PDE4BPDE4DHRH3TSHRMAPK1 | |
| SCHEMBL13660310 | 0.73 | HRH3 (0.42) | PDE4BPDE4DHRH3EP300CREBBP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009121036-A2 | SUBSTITUTED ARYL PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2009-10-01 | — | — | WO | disclosed |