Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 5/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.44 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7434716 | 0.85 | PLA2G10 (0.51) | CAPN1CA1CA2CA7CTSK | |
| SCHEMBL24900084 | 0.85 | CA1 (0.47) | CAPN1CA1CA2CA7CTSK | |
| SCHEMBL29071877 | 0.85 | CA1 (0.41) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL13793608 | 0.85 | CA1 (0.41) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL19227630 | 0.82 | CA1 (0.58) | CAPN1CA1CA2CA7CTSK | |
| SCHEMBL57148 | 0.81 | CA1 (0.50) | CAPN1CA1CA2CA7CTSK | |
| SCHEMBL15994357 | 0.81 | CA1 (0.46) | CAPN1CA1CA2CA7CTSK | |
| SCHEMBL23833195 | 0.81 | CA1 (0.46) | CAPN1CA1CA2CA7CTSK | |
| SCHEMBL90111 | 0.81 | CA1 (0.50) | CAPN1CA1CA2CA7CTSK | |
| SCHEMBL6545747 | 0.80 | CA1 (0.49) | CAPN1CA1CA2CA7CTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023283831-A1 | VIRUS MAIN PROTEASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE | 上海药明康德新药开发有限公司 | 2023-01-19 | — | — | WO | disclosed |