Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL21997532 | 0.82 | ESR1 (0.35) | — | |
| SCHEMBL15751664 | 0.76 | ALOX15 (0.31) | APLNR | |
| SCHEMBL17044867 | 0.75 | CYP2C19 (0.31) | CYP2C19 | |
| SCHEMBL31020426 | 0.74 | ASGR1 (0.39) | — | |
| SCHEMBL3829058 | 0.73 | — | — | |
| SCHEMBL3829062 | 0.73 | — | — | |
| SCHEMBL3831930 | 0.73 | — | — | |
| SCHEMBL481634 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL20973330 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL1498386 | 0.71 | ALDH1A1 (0.35) | — |
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-2020244452-A1 | HETEROCYCLIC DERIVATIVE HAVING β2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2020-12-10 | — | — | WO | disclosed |