Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CTSK | P43235 | 6/20 | 0.37 |
| ▸ | CTSS | P25774 | 5/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8115106 | 0.90 | CA2 (0.44) | CA2CA1CTSKCTSSCXCR3 | |
| SCHEMBL8112857 | 0.85 | CA2 (0.52) | CA2CA1CTSKCTSSNPY1R | |
| SCHEMBL8120447 | 0.85 | CA2 (0.52) | CA2CA1CTSKCTSSCXCR3 | |
| SCHEMBL8120925 | 0.84 | CA2 (0.51) | CA2CA1CTSKCTSSCXCR3 | |
| SCHEMBL8114815 | 0.84 | CA2 (0.53) | CA2CA1CTSKCTSSCXCR3 | |
| SCHEMBL8126119 | 0.82 | CA2 (0.49) | CA2CA1CTSKCTSSCXCR3 | |
| SCHEMBL7040745 | 0.82 | CA2 (0.49) | CA2CA1CTSKCTSSCXCR3 | |
| SCHEMBL5966482 | 0.82 | CTSS (0.51) | CA2CA1CTSKCTSSCTSB | |
| SCHEMBL8126994 | 0.81 | NPY1R (0.54) | NPY1R | |
| SCHEMBL8112106 | 0.80 | CTSK (0.55) | CA2CA1CTSKCTSSCXCR3 |
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-0680469-B1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-04-26 | — | — | EP | disclosed |