Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.61 |
| ▸ | F2 | P00734 | 1/20 | 0.54 |
| ▸ | F10 | P00742 | 1/20 | 0.54 |
| ▸ | PLG | P00747 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30310614 | 0.89 | AKR1C3 (0.60) | AKR1C3F2F10PLGPRSS1 | |
| SCHEMBL30402971 | 0.85 | AKR1C3 (0.65) | AKR1C3F2F10PLGPRSS1 | |
| SCHEMBL15533406 | 0.83 | AKR1C3 (0.62) | AKR1C3HRH4HRH3POLBSMN1; SMN2 | |
| SCHEMBL13753537 | 0.83 | AKR1C3 (0.62) | AKR1C3HRH4HRH3POLBSMN1; SMN2 | |
| SCHEMBL15064997 | 0.83 | AKR1C3 (0.62) | AKR1C3HRH4HRH3POLBSMN1; SMN2 | |
| SCHEMBL13201971 | 0.81 | AKR1C3 (0.63) | AKR1C3F2F10PLGPRSS1 | |
| SCHEMBL22395067 | 0.81 | PIP5K1C (0.47) | AKR1C3F2F10PLGPRSS1 | |
| SCHEMBL949943 | 0.79 | F2 (0.70) | AKR1C3F2F10PLGPRSS1 | |
| SCHEMBL8764295 | 0.79 | F2 (0.70) | AKR1C3F2F10PLGPRSS1 | |
| SCHEMBL949942 | 0.79 | F2 (0.70) | AKR1C3F2F10PLGPRSS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115960088-B | Novel coronavirus main protease inhibitor and preparation method and application thereof | 四川大学 | 2024-07-26 | — | — | CN | disclosed |
| CN-115960088-A | Novel coronavirus main protease inhibitor, preparation method and application thereof | 四川大学 | 2023-04-14 | — | — | CN | disclosed |
| CN-114057702-B | Novel inhibitor of coronavirus main protease and preparation method and application thereof | 四川大学 | 2022-09-30 | — | — | CN | disclosed |
| WO-2022021841-A1 | NOVEL CORONAVIRUS MAIN PROTEASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川大学 | 2022-02-03 | — | — | WO | disclosed |