Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 15/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 13/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18229114 | 0.88 | CHRM3 (0.41) | CHRM3ADRB2BCHEACHE | |
| SCHEMBL18239050 | 0.88 | CHRM3 (0.43) | CHRM3ADRB2 | |
| SCHEMBL18238906 | 0.84 | CHRM3 (0.55) | CHRM3ADRB2 | |
| Trifluoroacetic Acid SCHEMBL18229109 | 0.77 | CHRM3 (0.69) | CHRM3ADRB2 | |
| Trifluoroacetic Acid SCHEMBL18229089 | 0.77 | CHRM3 (0.56) | CHRM3ADRB2 | |
| SCHEMBL694787 | 0.77 | CHRM3 (0.63) | CHRM3ADRB2 | |
| Trifluoroacetic Acid SCHEMBL18229067 | 0.76 | ADRB2 (0.53) | CHRM3ADRB2 | |
| SCHEMBL18229029 | 0.75 | CHRM3 (0.62) | CHRM3ADRB2 | |
| SCHEMBL28098391 | 0.75 | CHRM3 (0.56) | CHRM3ADRB2 | |
| SCHEMBL18229037 | 0.75 | CHRM3 (0.36) | CHRM3ADRB2BCHEACHE |
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-2016180348-A1 | NITROGEN-CONTAINING SPIRO-HETEROCYCLIC DERIVATIVE HAVING BETA2 RECEPTOR EXCITEMENT AND M RECEPTOR ANTAGONISTIC ACTIVITIES AND APPLICATION THEREOF IN MEDICAMENT | 四川海思科制药有限公司 | 2016-11-17 | — | — | WO | disclosed |