Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CTH | P32929 | 1/20 | 0.36 |
| ▸ | TCF4 | P15884 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 3/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 3/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PGAM1 | P18669 | 3/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL8901558 | 0.96 | DNMT3B (0.44) | NQO1DNMT3BHSP90AA1PAX8IDO1 | |
| SCHEMBL8902595 | 0.85 | CTH (0.36) | DNMT3BHSP90AA1PAX8IDO1CTH | |
| SCHEMBL8901515 | 0.82 | AKT1 (0.41) | NQO1DNMT3BHSP90AA1PAX8IDO1 | |
| SCHEMBL9755765 | 0.81 | NQO1 (0.33) | NQO1DNMT3BHSP90AA1PAX8IDO1 | |
| SCHEMBL8902823 | 0.81 | IDO1 (0.39) | DNMT3BHSP90AA1PAX8IDO1CTH | |
| SCHEMBL8903145 | 0.79 | NQO1 (0.38) | NQO1HSP90AA1PAX8IDO1ALOX5 | |
| SCHEMBL8901799 | 0.78 | NQO1 (0.37) | NQO1IDO1CTHTCF4CTNNB1 | |
| SCHEMBL8903683 | 0.74 | NQO1 (0.37) | NQO1DNMT3BHSP90AA1PAX8IDO1 | |
| SCHEMBL8902939 | 0.74 | NQO1 (0.37) | NQO1DNMT3BHSP90AA1PAX8IDO1 | |
| SCHEMBL8903328 | 0.74 | NQO1 (0.40) | NQO1AKT1PKLRALOX5PGAM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |