Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.55 |
| ▸ | CASP3 | P42574 | 3/20 | 0.44 |
| ▸ | CASP9 | P55211 | 2/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 5/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL948554 | 0.95 | CASP1 (0.51) | CASP1CASP3CASP9CASP8F2 | |
| Trifluoroacetic Acid SCHEMBL948555 | 0.95 | CASP1 (0.51) | CASP1CASP3CASP9CASP8F2 | |
| SCHEMBL12450523 | 0.94 | CASP1 (0.47) | CASP1CASP3CASP9CASP8F2 | |
| SCHEMBL12450947 | 0.87 | CASP1 (0.55) | CASP1CASP3CASP9CASP8F2 | |
| SCHEMBL14370034 | 0.84 | CASP1 (0.53) | CASP1CASP3CTSLCTSB | |
| SCHEMBL13547350 | 0.82 | SMN1; SMN2 (0.47) | CASP3CTSLCTSB | |
| SCHEMBL949976 | 0.81 | CASP1 (0.53) | CASP1CTSLCTSB | |
| SCHEMBL12914629 | 0.81 | CASP1 (0.53) | CASP1CTSLCTSB | |
| SCHEMBL14370035 | 0.81 | CASP1 (0.53) | CASP1CTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL948894 | 0.80 | CASP1 (0.49) | CASP1CTSLCTSB |
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-2123665-A2 | Inhibitors of interleukin-1Beta converting enzyme | Vertex Pharmaceuticals Incorporated (US) | 2009-11-25 | — | — | EP | disclosed |