Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL27216348 | 1.00 | CTSV (0.40) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL27216355 | 1.00 | CTSV (0.40) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL27216362 | 0.93 | CTSV (0.39) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL30236992 | 0.93 | CTSV (0.39) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL27216354 | 0.93 | CTSV (0.39) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL30236712 | 0.90 | CTSV (0.38) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL24996608 | 0.86 | CTSV (0.47) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL30935101 | 0.85 | CTSV (0.55) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL27216337 | 0.85 | CTSV (0.55) | CTSVCYP3A4CTSSCTSK | |
| SCHEMBL27216342 | 0.85 | CTSV (0.55) | CTSVCYP3A4CTSSCTSK |
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-2023011443-A1 | 3CL PROTEASE SMALL-MOLECULE INHIBITOR FOR TREATING OR PREVENTING CORONAVIRUS INFECTION, AND USE THEREOF | 北京华益健康药物研究中心 | 2023-02-09 | — | — | WO | disclosed |