Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | BRD2 | P25440 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL23340710 | 0.68 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL25157210 | 0.62 | BRD4 (0.43) | BRD4BRD2ALDH1A1 | |
| SCHEMBL2994796 | 0.61 | ALDH1A1 (0.37) | BRD4BRD2ALDH1A1HPGD | |
| SCHEMBL2999035 | 0.61 | BRD4 (0.41) | BRD4BRD2ALDH1A1 | |
| SCHEMBL8762738 | 0.61 | ALDH1A1 (0.37) | BRD4BRD2ALDH1A1HPGD | |
| SCHEMBL4583515 | 0.61 | BRD4 (0.37) | BRD4BRD2ALDH1A1 | |
| SCHEMBL27497138 | 0.61 | ALDH1A1 (0.37) | BRD4BRD2ALDH1A1 | |
| Methylpyrrolidone SCHEMBL15392332 | 0.59 | BRD4 (0.68) | BRD4BRD2ALDH1A1HPGD | |
| SCHEMBL940971 | 0.59 | BRD4 (0.35) | BRD4BRD2ALDH1A1 | |
| SCHEMBL7627573 | 0.58 | BRD4 (0.39) | BRD4BRD2ALDH1A1 |
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-2585447-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |