Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 15/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5792236 | 0.86 | CNR2 (0.54) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL5789825 | 0.86 | CNR2 (0.54) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL5791832 | 0.84 | CNR2 (0.73) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL5791800 | 0.83 | CNR2 (0.56) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL5788577 | 0.83 | CNR2 (0.61) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3380760 | 0.81 | CNR2 (0.63) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3383491 | 0.81 | CNR2 (0.63) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL5790458 | 0.81 | CNR2 (0.61) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3382357 | 0.81 | CNR2 (0.62) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL5790174 | 0.80 | CNR2 (0.62) | CNR2CYP1A2CYP2C9CYP2C19CYP3A4 |
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 |