Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 7/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 7/20 | 0.50 |
| ▸ | RELA | Q04206 | 7/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8645381 | 1.00 | NFKB1 (0.50) | NFKB1NFKB2RELAGAABTK | |
| SCHEMBL20904043 | 0.80 | GAA (0.47) | NFKB1NFKB2RELAGAABTK | |
| SCHEMBL19548893 | 0.75 | — | — | |
| SCHEMBL17991583 | 0.75 | NFKB1 (0.49) | NFKB1NFKB2RELAGAABTK | |
| SCHEMBL17992588 | 0.75 | NFKB1 (0.49) | NFKB1NFKB2RELAGAABTK | |
| SCHEMBL19575951 | 0.74 | NFKB1 (0.40) | NFKB1NFKB2RELAEPHX2CTSK | |
| SCHEMBL17309418 | 0.74 | GAA (0.46) | NFKB1NFKB2RELAGAABTK | |
| SCHEMBL470791 | 0.74 | BTK (0.53) | NFKB1NFKB2RELAGAABTK | |
| SCHEMBL27419986 | 0.73 | GAA (0.46) | NFKB1NFKB2RELAGAABTK | |
| SCHEMBL3621203 | 0.72 | GAA (0.54) | NFKB1NFKB2RELAGAABTK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5874424-A | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-02-23 | — | — | US | disclosed |
| US-5847135-A | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-12-08 | — | — | US | disclosed |
| US-5716929-A | THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1998-02-10 | — | — | US | disclosed |