Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 6/20 | 0.42 |
| ▸ | CASP1 | P29466 | 5/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
| ▸ | IL1B | P01584 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL473144 | 0.77 | CASP1 (0.48) | PKMSMN1; SMN2ELANECASP1CASP3 | |
| SCHEMBL473145 | 0.77 | CASP1 (0.48) | PKMSMN1; SMN2ELANECASP1CASP3 | |
| SCHEMBL21484102 | 0.72 | PTGS2 (0.36) | — | |
| SCHEMBL25118201 | 0.72 | ELANE (0.52) | ELANE | |
| SCHEMBL473119 | 0.72 | ELANE (0.44) | PKMSMN1; SMN2ELANECASP1CASP3 | |
| SCHEMBL473120 | 0.72 | ELANE (0.44) | PKMSMN1; SMN2ELANECASP1CASP3 | |
| SCHEMBL25118202 | 0.72 | ELANE (0.49) | ELANEALDH1A1HPGD | |
| SCHEMBL30662467 | 0.71 | CTSL (0.35) | PKMSMN1; SMN2ELANECASP1CASP3 | |
| SCHEMBL19545683 | 0.70 | BRD4 (0.47) | PKMSMN1; SMN2CASP1CASP3CASP7 | |
| SCHEMBL14199108 | 0.70 | SMN1; SMN2 (0.59) | PKMSMN1; SMN2ELANETSHRALDH1A1 |
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 |