Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 19/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 14/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 14/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 14/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 13/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6311307 | 0.72 | CHRNA4 (0.45) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL6311317 | 0.68 | CHRNA4 (0.40) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3335786 | 0.67 | CHRNA4 (0.68) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL25388651 | 0.65 | CHRNB2 (0.41) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL25390583 | 0.65 | CHRNB2 (0.41) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5745277 | 0.64 | TACR1 (0.39) | CHRNA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL585356 | 0.64 | CHRNA4 (1.00) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL23901475 | 0.63 | — | — | |
| SCHEMBL2571302 | 0.63 | SCD5 (0.47) | FAAH | |
| SCHEMBL3341103 | 0.61 | CHRNA4 (0.60) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 |
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-109988169-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-02-01 | — | — | CN | disclosed |