Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.47 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.46 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.46 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.46 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.46 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360319 | 0.87 | ADRA1A (0.51) | TGM2ALDH1A1GAAADRA1ACTSL | |
| SCHEMBL1870932 | 0.76 | ALDH1A1 (0.67) | TGM2ALDH1A1GAACTSLCTSB | |
| SCHEMBL6888432 | 0.76 | ALDH1A1 (0.70) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL18123354 | 0.75 | ALDH1A1 (0.58) | TGM2ALDH1A1GAACTSLCTSB | |
| SCHEMBL8785544 | 0.74 | ALDH1A1 (0.60) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL3206159 | 0.74 | ALDH1A1 (0.57) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL3206152 | 0.74 | ALDH1A1 (0.57) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL22360327 | 0.73 | ADRA1A (0.61) | ALDH1A1ADRA1ADGAT2HSD11B1POLB | |
| SCHEMBL6190799 | 0.73 | ALDH1A1 (0.58) | TGM2ALDH1A1GAACTSLCTSB | |
| SCHEMBL21362723 | 0.73 | ALDH1A1 (0.64) | ALDH1A1GAACTSLCTSBCTSK |
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 |