Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.32 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25164998 | 1.00 | CCR5 (0.42) | CCR5CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22795906 | 1.00 | CCR5 (0.42) | CCR5CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL22773673 | 0.97 | CCR5 (0.40) | CCR5CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL29596889 | 0.97 | CCR5 (0.40) | CCR5CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL26495374 | 0.77 | CCR5 (0.47) | CCR5CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL14280949 | 0.74 | CHRNB2 (0.31) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL13005174 | 0.74 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL22695220 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL20664448 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL24162636 | 0.72 | CCR5 (0.42) | CCR5CHRNB2CHRNA4CHRNB4CHRNA3 |
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-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |