Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 15/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3382316 | 0.90 | CNR2 (0.66) | CNR2RAB9ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL3380444 | 0.90 | CNR2 (0.65) | CNR2RAB9ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL3383233 | 0.89 | CNR2 (0.66) | CNR2RAB9ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL3379871 | 0.85 | CNR2 (0.70) | CNR2CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13070075 | 0.84 | CNR2 (0.71) | CNR2CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3380632 | 0.83 | CNR2 (0.53) | CNR2CYP2C9CYP1A2CYP3A4LRRK2 | |
| SCHEMBL3380625 | 0.83 | CNR2 (0.66) | CNR2CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3377534 | 0.83 | CNR2 (0.66) | CNR2CYP2C9CYP1A2CYP3A4LRRK2 | |
| SCHEMBL13503356 | 0.82 | CNR2 (0.76) | CNR2CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13503363 | 0.82 | CNR2 (0.63) | CNR2CYP2C9CYP1A2CYP3A4LRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1878725-A2 | Pyrimidine derivatives and their use as CB2 modulators | GLAXO GROUP LIMITED (GB) | 2008-01-16 | — | — | EP | disclosed |