Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 16/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | VNN1 | O95497 | 3/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5788165 | 0.92 | CNR2 (0.75) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5791566 | 0.88 | CNR2 (0.61) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5788577 | 0.87 | CNR2 (0.61) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5790523 | 0.86 | CNR2 (0.72) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5078986 | 0.85 | CNR2 (0.85) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5791466 | 0.81 | CNR2 (0.73) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5792571 | 0.81 | CNR2 (0.72) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5791832 | 0.80 | CNR2 (0.73) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5789309 | 0.79 | CNR2 (0.76) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5789971 | 0.78 | CNR2 (0.59) | CNR2CYP2C9CYP2C19CYP1A2CYP3A4 |
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-1534687-B1 | 2-PHENYLAMINO-4-TRIFLUOROMETHYL-5-(BENZYL- OR PYRIDIN-4-YLMETHYL)CARBAMOYLPYRIMIDINE DERIVATIVES AS SELECTIVE CB2 CANNABINOID RECEPTOR MODULATORS | GLAXO GROUP LTD (GB) | 2006-09-27 | — | — | EP | claimed |