Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 7/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TOP1 | P11387 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TOP2A | P11388 | 1/20 | 0.44 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.44 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MASP2 | O00187 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL549141 | 0.78 | NQO2 (1.00) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL14710803 | 0.72 | NQO1 (0.33) | ALDH1A1 | |
| SCHEMBL13573621 | 0.71 | NQO2 (0.83) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL6750104 | 0.71 | NQO2 (0.72) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL8973288 | 0.70 | WDR5 (0.80) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL394218 | 0.70 | WDR5 (0.80) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL13575267 | 0.69 | NQO2 (0.78) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL12461484 | 0.69 | WDR5 (0.64) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL5306015 | 0.68 | NQO2 (0.53) | NQO2ALDH1A1TOP1HPGDCASP1 | |
| SCHEMBL537030 | 0.67 | LMNA (0.77) | NQO2ALDH1A1TOP1HPGDCASP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1829509-A | Pharmaceutical composition for treating tumors | COMBINATORX INC (US) | 2006-09-06 | — | — | CN | claimed |