Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 9/20 | 0.35 |
| ▸ | CTSC | P53634 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 5/20 | 0.34 |
| ▸ | CTSK | P43235 | 5/20 | 0.34 |
| ▸ | ELANE | P08246 | 3/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30662452 | 0.71 | PKM (0.43) | CASP1CASP3CASP7CASP8ELANE | |
| SCHEMBL29109189 | 0.71 | CTSK (0.34) | CTSLCASP1CASP3CASP7CASP8 | |
| SCHEMBL30662497 | 0.71 | CTSL (0.34) | CTSLCASP1CASP3CASP7CASP8 | |
| SCHEMBL29109188 | 0.71 | CASP1 (0.38) | CASP1CASP3CASP7CASP8 | |
| SCHEMBL25118208 | 0.66 | CTSL (0.54) | CTSLCTSSCTSB | |
| SCHEMBL27319777 | 0.66 | CTSS (0.47) | CTSLCTSSCTSKCTSB | |
| SCHEMBL30662454 | 0.64 | CTSL (0.52) | CTSLCTSSCTSB | |
| SCHEMBL473145 | 0.64 | CASP1 (0.48) | CASP1CASP3CASP7CASP8ELANE | |
| SCHEMBL473144 | 0.64 | CASP1 (0.48) | CASP1CASP3CASP7CASP8ELANE | |
| SCHEMBL6826283 | 0.62 | ALDH1A1 (0.50) | CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117088849-A | 3CL protease small molecule inhibitors for treating or preventing coronavirus infection and uses thereof | 北京华益健康药物研究中心 | 2023-11-21 | — | — | CN | disclosed |