Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27199840 | 0.86 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL31019632 | 0.86 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL9195587 | 0.86 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL30866557 | 0.86 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL10663642 | 0.84 | CHRNB2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL10663646 | 0.84 | CHRNB2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL22686378 | 0.84 | ALDH1A1 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL22686379 | 0.84 | ALDH1A1 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11233101 | 0.82 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL4299439 | 0.79 | NTRK1 (0.47) | — |
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-2020024997-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION | 上海轶诺药业有限公司 | 2020-02-06 | — | — | WO | disclosed |