Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 18/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL25420116 | 0.89 | CNR2 (0.59) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL3380681 | 0.80 | CNR2 (0.64) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL3379524 | 0.78 | CNR2 (0.64) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL3378920 | 0.77 | CNR2 (0.64) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL3379217 | 0.73 | CNR2 (0.72) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL3380732 | 0.73 | CNR2 (0.84) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL30635471 | 0.73 | HDAC6 (0.49) | HDAC6 | |
| SCHEMBL3378904 | 0.72 | CNR2 (0.84) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL27934296 | 0.72 | PDE4B (0.45) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 | |
| SCHEMBL3379472 | 0.72 | CNR2 (0.84) | CNR2CYP2C19CYP3A4CYP2C9CYP1A2 |
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-1539712-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS CB2 MODULATORS | GLAXO GROUP LIMITED (GB) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018433-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS CB2 MODULATORS | GLAXO GROUP LIMITED (GB) | 2004-03-04 | — | — | WO | disclosed |