Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6119673 | 0.95 | CYP2C19 (0.50) | CYP2C19 | |
| SCHEMBL11377781 | 0.93 | CYP2C19 (0.54) | CYP2C19 | |
| SCHEMBL25220171 | 0.91 | — | — | |
| SCHEMBL16700278 | 0.77 | CYP2C19 (0.45) | CYP2C19 | |
| SCHEMBL9688048 | 0.74 | CYP2C19 (0.42) | CYP2C19 | |
| SCHEMBL31170452 | 0.74 | SLC6A2 (0.34) | CYP2C19 | |
| SCHEMBL16730622 | 0.73 | — | — | |
| SCHEMBL9687604 | 0.72 | CYP2C19 (0.41) | CYP2C19 | |
| SCHEMBL31405369 | 0.72 | — | — | |
| SCHEMBL14808862 | 0.71 | CYP2C19 (0.54) | 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 |
|---|---|---|---|---|---|---|---|
| CN-1997619-B | Ethynyl containing phenyl derivatives | HOFFMANN LA ROCHE | 2010-08-25 | — | — | CN | disclosed |
| CN-1997619-A | Phenyl derivatives comprising an acetylene group | HOFFMANN LA ROCHE (CH) | 2007-07-11 | — | — | CN | disclosed |