Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30151963 | 0.86 | CHRM3 (0.36) | CHRM3CYP2C19GRM5 | |
| SCHEMBL19692798 | 0.81 | GABRP (0.32) | — | |
| SCHEMBL7024303 | 0.79 | CYP2C19 (0.34) | CHRM3CYP2C19 | |
| SCHEMBL3346246 | 0.77 | CYP2C19 (0.33) | CHRM3CYP2C19 | |
| SCHEMBL10150484 | 0.76 | CYP2C19 (0.39) | CHRM3CYP2C19 | |
| SCHEMBL10618108 | 0.74 | CYP2C19 (0.43) | CYP2C19 | |
| Cyclohexane SCHEMBL7797729 | 0.71 | EPHX1 (0.43) | CYP2C19 | |
| SCHEMBL8718238 | 0.71 | DPP4 (0.33) | CHRM3 | |
| SCHEMBL4072778 | 0.69 | CYP2C19 (0.52) | CYP2C19GRM5 | |
| SCHEMBL121265 | 0.69 | EPHX1 (0.52) | CYP2C19 |
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-2032535-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | Sanofi-Aventis (FR) | 2009-03-11 | — | — | EP | claimed |
| WO-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | claimed |