Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2157538 | 0.87 | CYP3A4 (0.43) | CYP3A4 | |
| SCHEMBL2158053 | 0.80 | CYP3A4 (0.43) | CYP3A4 | |
| SCHEMBL2157738 | 0.80 | CYP3A4 (0.41) | CYP3A4 | |
| SCHEMBL2250714 | 0.80 | IKBKB (0.38) | CYP3A4IKBKB | |
| SCHEMBL14030986 | 0.79 | CYP1A2 (0.36) | CYP3A4 | |
| SCHEMBL2158219 | 0.79 | ACLY (0.45) | IKBKB | |
| SCHEMBL2158689 | 0.78 | CYP1A2 (0.40) | — | |
| SCHEMBL12357964 | 0.78 | PDK1 (0.38) | — | |
| SCHEMBL12357965 | 0.78 | PDK1 (0.38) | — | |
| SCHEMBL2157647 | 0.78 | PDK1 (0.38) | — |
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-1569929-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF i FLAVIVIRUS /i INFECTIONS | Virochem Pharma Inc. (CA) | 2005-09-07 | — | — | EP | claimed |
| WO-2004052885-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC. (CA) | 2004-06-24 | — | — | WO | claimed |