Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.36 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL4595724 | 1.00 | CA2 (0.52) | CA2CA1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL4594560 | 1.00 | CA2 (0.52) | CA2CA1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL12285998 | 0.94 | CA1 (0.45) | CA2CA1SLC1A2SLC1A1EPHX1 | |
| SCHEMBL25389975 | 0.92 | GRIK1 (0.44) | CA2CA1SLC1A2SLC1A1EPHX1 | |
| SCHEMBL28458244 | 0.92 | GRIK1 (0.44) | CA2CA1SLC1A2SLC1A1EPHX1 | |
| SCHEMBL28958158 | 0.92 | GRIK1 (0.44) | CA2CA1SLC1A2SLC1A1EPHX1 | |
| Hydrochloric Acid SCHEMBL11416121 | 0.90 | GRIK1 (0.43) | CA2CA1SLC1A2SLC1A1EPHX1 | |
| SCHEMBL2127724 | 0.86 | HDAC7 (0.43) | CA2CA1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL13884916 | 0.86 | HDAC7 (0.43) | CA2CA1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL8183821 | 0.83 | CPB2 (0.36) | CA2CA1DPP7CHRNB2CHRNB4 |
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-1871379-A2 | CYANOARYLAMINES | Smithkline Beecham Corporation (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006113552-A2 | CYANOARYLAMINES | SMITHKLINE BEECHAM CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |