Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 6/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.41 |
| ▸ | CTSK | P43235 | 9/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
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 SCHEMBL8763097 | 1.00 | ITGB3 (0.46) | ITGB3ITGA2BELANECTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL948894 | 0.87 | CASP1 (0.49) | ITGB3ITGA2BELANECTSLCTSB | |
| Trifluoroacetic Acid SCHEMBL948891 | 0.87 | CASP1 (0.49) | ITGB3ITGA2BELANECTSLCTSB | |
| SCHEMBL14370034 | 0.82 | CASP1 (0.53) | CTSLCTSBCTSKCTSS | |
| SCHEMBL949589 | 0.80 | CTSK (0.43) | CTSLCTSBCTSKBCHEACHE | |
| SCHEMBL949590 | 0.80 | CTSK (0.43) | CTSLCTSBCTSKBCHEACHE | |
| Trifluoroacetic Acid SCHEMBL948554 | 0.73 | CASP1 (0.51) | ITGB3ITGA2BCTSLCTSBCTSK | |
| Trifluoroacetic Acid SCHEMBL948555 | 0.73 | CASP1 (0.51) | ITGB3ITGA2BCTSLCTSBCTSK | |
| SCHEMBL4492874 | 0.71 | CTSK (0.49) | CTSLCTSBCTSKCTSS | |
| SCHEMBL4483853 | 0.71 | CTSK (0.49) | CTSLCTSBCTSKCTSS |
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-0784628-A1 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1997-07-23 | — | — | EP | disclosed |
| WO-1995035308-A1 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-12-28 | — | — | WO | disclosed |