Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 13/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | DGAT2 | Q96PD7 | 2/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360323 | 0.87 | ADRA1A (0.41) | ADRA1ADGAT2 | |
| SCHEMBL22360349 | 0.87 | ADRA1A (0.52) | ADRA1AALDH1A1HPGDHSD17B10DGAT2 | |
| SCHEMBL16824482 | 0.81 | ADRA1A (0.80) | ADRA1AAKR1C3PRMT5WDR77 | |
| SCHEMBL22360326 | 0.77 | ADRA1A (0.61) | ADRA1AAKR1C3DGAT2 | |
| SCHEMBL22345182 | 0.75 | ADRA1A (0.64) | ADRA1AALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL16855449 | 0.72 | ADRA1A (0.64) | ADRA1AALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL22345187 | 0.72 | ADRA1A (0.53) | ADRA1AALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL22345186 | 0.72 | ADRA1A (0.55) | ADRA1AALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL22360319 | 0.71 | ADRA1A (0.51) | ADRA1AALDH1A1TSHR | |
| SCHEMBL16827304 | 0.71 | ADRA1A (1.00) | ADRA1A |
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 |