Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29124115 | 1.00 | CHRNB2 (0.33) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL29124157 | 0.88 | CHRNB2 (0.32) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL30705865 | 0.88 | CHRNB2 (0.32) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL29124103 | 0.87 | — | — | |
| SCHEMBL29124105 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL31259130 | 0.73 | CHRNB2 (0.36) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL30848782 | 0.73 | CHRNB2 (0.36) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL15105205 | 0.73 | SSTR4 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL14660474 | 0.73 | SSTR4 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| Trifluoroacetic Acid SCHEMBL15105206 | 0.73 | SSTR4 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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-117229289-A | Preparation and application of EGFR inhibitor with macrocyclic structure | 药雅科技(上海)有限公司 | 2023-12-15 | — | — | CN | disclosed |