Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.47 |
| ▸ | PHGDH | O43175 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21163168 | 0.84 | GPR119 (0.47) | CHRNB2CHRNA4HRH3ADAMTS5PHGDH | |
| SCHEMBL19001331 | 0.84 | ADAMTS5 (0.58) | CHRNB2CHRNA4HRH3ADAMTS5TRPV1 | |
| SCHEMBL9557965 | 0.79 | CHRNB2 (0.59) | CHRNB2CHRNA4TRPV1 | |
| SCHEMBL30663952 | 0.78 | TRPV1 (0.54) | CHRNB2CHRNA4HRH3ADAMTS5TRPV1 | |
| SCHEMBL1433477 | 0.78 | TRPV1 (0.54) | CHRNB2CHRNA4HRH3ADAMTS5TRPV1 | |
| SCHEMBL27781454 | 0.78 | TRPV1 (0.56) | CHRNB2CHRNA4ADAMTS5TRPV1GPR119 | |
| SCHEMBL6888784 | 0.78 | CHRNA7 (0.62) | CHRNB2CHRNA4HRH3 | |
| SCHEMBL29352658 | 0.78 | CHRNA7 (0.62) | CHRNB2CHRNA4HRH3 | |
| SCHEMBL1981285 | 0.76 | TRPV1 (0.55) | CHRNB2CHRNA4ADAMTS5TRPV1GPR119 | |
| SCHEMBL25645426 | 0.75 | ALDH1A1 (0.50) | HRH3ADAMTS5ALDH1A1 |
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-2021057882-A1 | EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR | 贝达药业股份有限公司 | 2021-04-01 | — | — | WO | disclosed |