Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | DRD5 | P21918 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | 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 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL13660456 | 0.91 | HRH3 (0.40) | HRH3DRD1DRD5PDE4BPDE4D | |
| SCHEMBL3185944 | 0.88 | PDE4B (0.39) | HRH3DRD1DRD5PDE4BPDE4D | |
| SCHEMBL3185951 | 0.88 | PDE4B (0.39) | HRH3DRD1DRD5PDE4BPDE4D | |
| SCHEMBL13660463 | 0.81 | PDE4B (0.37) | HRH3PDE4BPDE4DMEN1KMT2A | |
| SCHEMBL13660416 | 0.80 | HRH3 (0.42) | HRH3DRD1DRD5PDE4BPDE4D | |
| SCHEMBL3174425 | 0.80 | PDE4B (0.36) | HRH3PDE4BPDE4DKCNH2TSHR | |
| SCHEMBL3174423 | 0.80 | PDE4B (0.36) | HRH3PDE4BPDE4DKCNH2TSHR | |
| SCHEMBL13660412 | 0.79 | HRH3 (0.40) | HRH3DRD1DRD5PDE4BPDE4D | |
| SCHEMBL3169440 | 0.79 | SCN9A (0.40) | HRH3PDE4BPDE4DALDH1A1ITGB1 | |
| SCHEMBL3169447 | 0.79 | SCN9A (0.40) | HRH3PDE4BPDE4DALDH1A1ITGB1 |
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 |