Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL988593 | 0.87 | CYP1A2 (0.38) | CYP1A2CYP2C19FFAR3 | |
| SCHEMBL1063404 | 0.81 | CYP2C19 (0.40) | CYP1A2CYP2C19EPHX1FFAR3 | |
| SCHEMBL27730665 | 0.78 | CYP2C19 (0.33) | CYP1A2CYP2C19GRM2GRM3 | |
| SCHEMBL29184375 | 0.77 | NPSR1 (0.40) | CYP1A2CYP2C19 | |
| SCHEMBL19874190 | 0.73 | FFAR3 (0.38) | CYP1A2CYP2C19FFAR3GRM2GRM3 | |
| SCHEMBL3144730 | 0.73 | CYP2C19 (0.34) | CYP2C19 | |
| SCHEMBL15109711 | 0.72 | KDM4E (0.33) | CYP1A2CYP2C19 | |
| SCHEMBL15519662 | 0.72 | NPSR1 (0.43) | CYP2C19 | |
| SCHEMBL12822139 | 0.72 | NPSR1 (0.43) | CYP2C19 | |
| SCHEMBL7374383 | 0.71 | PDK1 (0.35) | CYP1A2EPHX1 |
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-0444482-B1 | Oxetanones | HOFFMANN LA ROCHE (CH) | 1996-01-17 | — | — | EP | disclosed |
| EP-0444482-A2 | Oxetanones | F. HOFFMANN-LA ROCHE AG (CH) | 1991-09-04 | — | — | EP | disclosed |