Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8901769 | 0.81 | NQO1 (0.41) | NQO1DNMT3BHSP90AA1PAX8IDO1 | |
| SCHEMBL8531103 | 0.81 | DNMT3B (0.48) | DNMT3BHSP90AA1PAX8IDO1ROCK2 | |
| SCHEMBL8901558 | 0.77 | DNMT3B (0.44) | NQO1DNMT3BHSP90AA1PAX8IDO1 | |
| SCHEMBL8531494 | 0.76 | DNMT3B (0.53) | DNMT3BHSP90AA1PAX8IDO1ROCK2 | |
| SCHEMBL8903145 | 0.70 | NQO1 (0.38) | NQO1HSP90AA1PAX8IDO1 | |
| SCHEMBL8901799 | 0.69 | NQO1 (0.37) | NQO1IDO1 | |
| SCHEMBL9755794 | 0.69 | NQO1 (0.42) | NQO1AKT1 | |
| SCHEMBL8902595 | 0.68 | CTH (0.36) | DNMT3BHSP90AA1PAX8IDO1AKT1 | |
| SCHEMBL8901515 | 0.68 | AKT1 (0.41) | NQO1DNMT3BHSP90AA1PAX8IDO1 | |
| SCHEMBL8901643 | 0.67 | NQO1 (0.33) | NQO1 |
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-1991019725-A2 | HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS | BIOCHEM PHARMA INC. (CA) | 1991-12-26 | — | — | WO | claimed |