Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 16/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22345196 | 0.90 | ADRA1A (0.60) | ADRA1AHRH3 | |
| SCHEMBL22345185 | 0.90 | ADRA1A (0.60) | ADRA1ADGAT2 | |
| SCHEMBL16824482 | 0.83 | ADRA1A (0.80) | ADRA1A | |
| SCHEMBL16855260 | 0.82 | ADRA1A (0.79) | ADRA1A | |
| SCHEMBL18186147 | 0.82 | ADRA1A (0.67) | ADRA1ADGAT2 | |
| SCHEMBL20052796 | 0.81 | ADRA1A (0.79) | ADRA1A | |
| SCHEMBL16855262 | 0.79 | ADRA1A (0.81) | ADRA1A | |
| SCHEMBL16855259 | 0.79 | ADRA1A (0.80) | ADRA1A | |
| SCHEMBL20220382 | 0.79 | ADRA1A (0.80) | ADRA1A | |
| SCHEMBL22360324 | 0.78 | ADRA1A (0.46) | ADRA1ADGAT2 |
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-2020165031-A1 | SUBSTITUTED ISOQUINOLINE-PIPERIDINYLMETHANONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-20 | — | — | WO | disclosed |