Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.51 |
| ▸ | TGM2 | P21980 | 2/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 5/20 | 0.45 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.43 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 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 | |
|---|---|---|---|---|
| SCHEMBL22360320 | 0.87 | TGM2 (0.52) | ADRA1ATGM2DPP4DPP7KCNH2 | |
| SCHEMBL22345187 | 0.79 | ADRA1A (0.53) | ADRA1AKCNH2ALDH1A1TSHR | |
| SCHEMBL30234010 | 0.76 | ALDH1A1 (0.58) | ENPP2ATXN2DPP4DPP7KCNH2 | |
| SCHEMBL22345182 | 0.75 | ADRA1A (0.64) | ADRA1AALDH1A1TSHR | |
| SCHEMBL1870932 | 0.73 | ALDH1A1 (0.67) | TGM2DPP4DPP7KCNH2ALDH1A1 | |
| SCHEMBL16615375 | 0.72 | ALDH1A1 (0.56) | DPP4DPP7KCNH2ALDH1A1GAA | |
| SCHEMBL16604769 | 0.72 | ALDH1A1 (0.56) | DPP4DPP7KCNH2ALDH1A1GAA | |
| SCHEMBL22345186 | 0.72 | ADRA1A (0.55) | ADRA1AALDH1A1TSHR | |
| SCHEMBL22360365 | 0.71 | ADRA1A (0.55) | ADRA1AALDH1A1TSHR | |
| SCHEMBL30986294 | 0.70 | ALDH1A1 (0.63) | DPP4DPP7KCNH2ALDH1A1GAA |
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 |