Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 4/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7448171 | 0.92 | NQO2 (0.45) | NQO2ALDH1A1MAPK1MEN1GAA | |
| SCHEMBL7448713 | 0.88 | NQO2 (0.43) | NQO2ALDH1A1MAPK1MEN1GAA | |
| SCHEMBL7446041 | 0.86 | F2 (0.45) | NQO2F2TSHRMAPK10SLC22A2 | |
| SCHEMBL7454205 | 0.85 | ALOX15 (0.33) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL7448908 | 0.85 | NQO2 (0.44) | NQO2ALDH1A1MAPK1MEN1GAA | |
| SCHEMBL7453707 | 0.84 | F2 (0.46) | NQO2ALDH1A1MAPK1MEN1GAA | |
| SCHEMBL5555934 | 0.84 | F2 (0.46) | NQO2ALDH1A1MAPK1MEN1GAA | |
| Hydrochloric Acid SCHEMBL7439492 | 0.83 | F2 (0.38) | NQO2F2SMN1; SMN2TSHRMAPK10 | |
| SCHEMBL7453308 | 0.82 | NQO2 (0.40) | NQO2ALDH1A1MAPK1MEN1GAA | |
| SCHEMBL7444535 | 0.82 | ALDH1A1 (0.40) | NQO2ALDH1A1MAPK1MEN1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0966454-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS | Boehringer Ingelheim Pharma KG (DE) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998037075-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1998-08-27 | — | — | WO | disclosed |