Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 4/20 | 0.46 |
| ▸ | MMP3 | P08254 | 4/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | MMP7 | P09237 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2444870 | 0.81 | MMP1 (0.50) | BRD4MMP3MMP1MMP7MMP9 | |
| SCHEMBL29178274 | 0.77 | CA12 (0.53) | MMP8MMP3MMP9MMP13 | |
| SCHEMBL2439382 | 0.77 | MMP1 (0.59) | BRD4MMP8MMP3STSMMP1 | |
| SCHEMBL2705750 | 0.75 | BRD4 (0.65) | BRD4MMP8MMP3HCRTR1HCRTR2 | |
| SCHEMBL2705744 | 0.75 | BRD4 (0.65) | BRD4MMP8MMP3HCRTR1HCRTR2 | |
| SCHEMBL25294154 | 0.74 | KMT2A (0.51) | STSMMP1 | |
| SCHEMBL5716989 | 0.74 | ALDH1A1 (0.66) | BRD4HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL5716988 | 0.74 | ALDH1A1 (0.66) | BRD4HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL5717022 | 0.74 | ALDH1A1 (0.66) | BRD4HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL25293555 | 0.73 | KMT2A (0.54) | STSMMP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2009004-A1 | NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2008-12-31 | — | — | EP | disclosed |