Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28928422 | 0.83 | TP53 (0.33) | CYP1A2CYP2C19POLB | |
| SCHEMBL2275993 | 0.80 | CYP1A2 (0.31) | CYP1A2CYP2C19POLB | |
| SCHEMBL2275997 | 0.80 | CYP1A2 (0.31) | CYP1A2CYP2C19POLB | |
| SCHEMBL12200032 | 0.80 | CYP1A2 (0.31) | CYP1A2CYP2C19POLB | |
| SCHEMBL20899843 | 0.78 | POLB (0.33) | CYP1A2CYP2C19POLB | |
| SCHEMBL20899842 | 0.78 | POLB (0.33) | CYP1A2CYP2C19POLB | |
| SCHEMBL23301101 | 0.76 | — | — | |
| SCHEMBL21857857 | 0.76 | — | — | |
| SCHEMBL2525528 | 0.76 | — | — | |
| SCHEMBL14948894 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111212832-A | 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors | 吉利德科学公司 | 2020-05-29 | — | — | CN | disclosed |