Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.51 |
| ▸ | CHRNA5 | P30532 | 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 | |
|---|---|---|---|---|
| SCHEMBL17830468 | 0.80 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA5 | |
| SCHEMBL10564592 | 0.76 | LTA4H (0.55) | CHRNB2CHRNA4CHRNA3CHRNB4 | |
| SCHEMBL21845189 | 0.75 | CHRNB4 (0.30) | CHRNA3CHRNB4 | |
| SCHEMBL21887361 | 0.75 | CHRNB4 (0.30) | CHRNA3CHRNB4 | |
| SCHEMBL21845171 | 0.75 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA3CHRNB4 | |
| SCHEMBL15481770 | 0.75 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA3CHRNB4 | |
| SCHEMBL27083284 | 0.75 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA3CHRNB4 | |
| Hydrochloric Acid SCHEMBL10567449 | 0.74 | LTA4H (0.54) | CHRNB2CHRNA4CHRNA3CHRNB4 | |
| Hydrochloric Acid SCHEMBL21806836 | 0.74 | CHRNB2 (0.71) | CHRNB2CHRNA4CHRNA3CHRNB4 | |
| SCHEMBL7368662 | 0.74 | CHRNA3 (0.74) | CHRNB2CHRNA4CHRNA3CHRNB4 |
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-2022089406-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海青煜医药科技有限公司 | 2022-05-05 | — | — | WO | disclosed |