Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 20/20 | 0.87 |
| ▸ | ADRB2 | P07550 | 19/20 | 0.87 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL3114378 | 0.93 | CHRM3 (1.00) | CHRM3ADRB2CHRM2 | |
| SCHEMBL741261 | 0.93 | CHRM3 (1.00) | CHRM3ADRB2CHRM2 | |
| SCHEMBL19088769 | 0.93 | ADRB2 (0.86) | CHRM3ADRB2CHRM2 | |
| SCHEMBL19088946 | 0.93 | CHRM3 (0.83) | CHRM3ADRB2CHRM2 | |
| SCHEMBL741252 | 0.92 | CHRM3 (1.00) | CHRM3ADRB2CHRM2 | |
| Trifluoroacetic Acid SCHEMBL14988968 | 0.91 | CHRM3 (0.94) | CHRM3ADRB2CHRM2 | |
| SCHEMBL19088841 | 0.89 | ADRB2 (0.79) | CHRM3ADRB2CHRM2 | |
| SCHEMBL19088756 | 0.89 | ADRB2 (0.79) | CHRM3ADRB2CHRM2 | |
| SCHEMBL19088842 | 0.89 | ADRB2 (0.79) | CHRM3ADRB2CHRM2 | |
| SCHEMBL18239871 | 0.89 | CHRM3 (0.91) | CHRM3ADRB2CHRM2 |
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-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |