Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 13/20 | 0.60 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.45 |
| ▸ | MTOR | P42345 | 2/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.45 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | ACACA | Q13085 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20052796 | 0.86 | ADRA1A (0.79) | ADRA1APIK3CAMTORPIK3CGL3MBTL3 | |
| SCHEMBL22360324 | 0.84 | ADRA1A (0.46) | ADRA1AGRIN1GRIN2BDGAT2L3MBTL3 | |
| SCHEMBL22360325 | 0.79 | ADRA1A (0.57) | ADRA1APIK3CAMTORPIK3CGDGAT2 | |
| SCHEMBL20175019 | 0.77 | ADRA1A (0.61) | ADRA1A | |
| SCHEMBL22360349 | 0.76 | ADRA1A (0.52) | ADRA1APIK3CAMTORPIK3CGDGAT2 | |
| SCHEMBL16846280 | 0.75 | ADRA1A (1.00) | ADRA1A | |
| SCHEMBL20052743 | 0.75 | ADRA1A (0.64) | ADRA1AL3MBTL1 | |
| SCHEMBL20220382 | 0.74 | ADRA1A (0.80) | ADRA1A | |
| SCHEMBL16855259 | 0.74 | ADRA1A (0.80) | ADRA1A | |
| SCHEMBL16827278 | 0.74 | ADRA1A (1.00) | ADRA1ADGAT2L3MBTL3L3MBTL1 |
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 |