Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24963813 | 1.00 | NFKB1 (0.41) | NFKB1NFKB2RELACTSSCTSK | |
| SCHEMBL24754820 | 1.00 | NFKB1 (0.41) | NFKB1NFKB2RELACTSSCTSK | |
| SCHEMBL19606034 | 1.00 | NFKB1 (0.41) | NFKB1NFKB2RELACTSSCTSK | |
| SCHEMBL23782042 | 0.93 | NFKB1 (0.43) | NFKB1NFKB2RELA | |
| SCHEMBL14838051 | 0.93 | NFKB1 (0.43) | NFKB1NFKB2RELA | |
| SCHEMBL6530320 | 0.93 | NFKB1 (0.43) | NFKB1NFKB2RELA | |
| SCHEMBL4954867 | 0.93 | NFKB1 (0.43) | NFKB1NFKB2RELA | |
| SCHEMBL23824589 | 0.92 | — | — | |
| SCHEMBL23824599 | 0.92 | — | — | |
| SCHEMBL25251620 | 0.92 | CTSS (0.48) | CTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| CN-117794896-A | Protease inhibitors for the treatment of coronavirus infections | 斯克里普斯研究学院 | 2024-03-29 | — | — | CN | disclosed |
| WO-2022133588-A1 | RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2022-06-30 | — | — | WO | disclosed |