Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 5/20 | 0.45 |
| ▸ | MMP3 | P08254 | 5/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL319129 | 1.00 | MMP1 (0.45) | MMP1MMP3F2F10PRSS1 | |
| SCHEMBL15132460 | 0.93 | F2 (0.52) | MMP1MMP3F2F10PRSS1 | |
| SCHEMBL4760690 | 0.87 | F2 (0.46) | F2F10PRSS1GAAFPR2 | |
| SCHEMBL7373906 | 0.86 | F2 (0.48) | F2F10PRSS1GAAFPR2 | |
| SCHEMBL4089318 | 0.84 | F2 (0.43) | MMP1MMP3F2F10PRSS1 | |
| SCHEMBL4089316 | 0.84 | F2 (0.43) | MMP1MMP3F2F10PRSS1 | |
| SCHEMBL2463051 | 0.84 | F2 (0.43) | MMP1MMP3F2F10PRSS1 | |
| SCHEMBL10264999 | 0.84 | F2 (0.47) | F2F10PRSS1GAAFPR2 | |
| SCHEMBL8234664 | 0.83 | F2 (0.50) | MMP1MMP3F2F10PRSS1 | |
| SCHEMBL8234659 | 0.83 | F2 (0.50) | MMP1MMP3F2F10PRSS1 |
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 |