Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MOGAT2 | Q3SYC2 | 3/20 | 0.37 |
| ▸ | FLI1 | Q01543 | 1/20 | 0.35 |
| ▸ | EWSR1 | Q01844 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | NQO2 | P16083 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23648071 | 1.00 | KDM4E (0.40) | KDM4EALDH1A1HPGDHSD17B10MOGAT2 | |
| SCHEMBL23648075 | 0.82 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDHSD17B10MOGAT2 | |
| SCHEMBL30006272 | 0.80 | ALDH1A1 (0.31) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL23647746 | 0.80 | ALDH1A1 (0.31) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL21624340 | 0.79 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDHSD17B10MOGAT2 | |
| SCHEMBL21624396 | 0.79 | PDE7A (0.45) | KDM4EALDH1A1HPGDHSD17B10MOGAT2 | |
| SCHEMBL30006137 | 0.79 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDHSD17B10MOGAT2 | |
| SCHEMBL30668474 | 0.79 | PDE7A (0.45) | KDM4EALDH1A1HPGDHSD17B10MOGAT2 | |
| SCHEMBL23658905 | 0.76 | — | — | |
| SCHEMBL23647801 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4090660-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |