Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.54 |
| ▸ | IL1B | P01584 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL948489 | 0.82 | CASP1 (0.70) | CASP1IL1BRAB9AF2PRSS1 | |
| SCHEMBL950528 | 0.80 | CASP1 (0.70) | CASP1IL1BRAB9AF2PRSS1 | |
| SCHEMBL646080 | 0.79 | CASP1 (0.71) | CASP1IL1BRAB9AF2PRSS1 | |
| SCHEMBL951421 | 0.79 | CASP1 (0.71) | CASP1IL1BRAB9AF2PRSS1 | |
| SCHEMBL952175 | 0.78 | CASP1 (0.73) | CASP1IL1BRAB9AF2PRSS1 | |
| SCHEMBL949241 | 0.73 | CASP1 (0.63) | CASP1IL1BRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL27460772 | 0.73 | CASP1 (0.64) | CASP1IL1BRAB9AF2PRSS1 | |
| SCHEMBL10200776 | 0.73 | CASP1 (0.66) | CASP1IL1BRAB9AF2PRSS1 | |
| SCHEMBL949229 | 0.72 | CASP1 (0.69) | CASP1IL1BRAB9APOLBNPC1 | |
| SCHEMBL951246 | 0.71 | CASP1 (0.54) | CASP1IL1BRAB9AF2PRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5973111-A | NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1999-10-26 | — | — | US | disclosed |