Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 3/20 | 0.67 |
| ▸ | POR | P16435 | 3/20 | 0.67 |
| ▸ | ESR1 | P03372 | 5/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| (3R)-Dunnione SCHEMBL103115 | 0.80 | NQO1 (0.63) | NQO1PORMAOAIDO1MALT1 | |
| (3R)-Dunnione SCHEMBL29468606 | 0.80 | NQO1 (0.63) | NQO1PORMAOAIDO1MALT1 | |
| (3R)-Dunnione SCHEMBL6052903 | 0.74 | NQO1 (0.56) | NQO1PORMAOAMAOBIDO1 | |
| SCHEMBL6052838 | 0.73 | NQO1 (0.57) | NQO1PORMAOAMAOBIDO1 | |
| SCHEMBL8260282 | 0.71 | NQO1 (0.52) | NQO1PORIDO1MALT1ELANE | |
| SCHEMBL29199272 | 0.70 | STAT3 (0.59) | ESR1ESR2MAOAUGT1A1MAOB | |
| Alpha-Dunnione SCHEMBL940069 | 0.69 | NQO1 (0.56) | NQO1PORMAOAIDO1MALT1 | |
| SCHEMBL3331249 | 0.69 | NQO1 (0.50) | NQO1PORIDO1ELANEMAPT | |
| SCHEMBL23111390 | 0.68 | ESR2 (0.80) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL3337802 | 0.67 | NQO1 (0.48) | NQO1PORELANEALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888326-B1 | NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH | WISCONSIN ALUMNI RES FOUND (US) | 2006-08-16 | — | — | EP | disclosed |
| US-5969163-A | CONTACTING SOLUTION OF LAWSONE IN DIMETHYL SULFOXIDE AT LOW TEMPERATURE WITH LITHIUM HYDRIDE AND WARMING TO FORM LITHIUM SALT, ALKYLATING WITH ALLYL HALIDE IN PRESENCE OF LITHIUM IODIDE, CYCLIZING ALKYLATED LAWSONE DERIVATIVES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0888326-A2 | NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5824700-A | ANTICARCINOGENIC AGENTS FOR TREATING BREAST CANCER OR COLON CANCER | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1998-10-20 | — | — | US | disclosed |
| WO-1997031936-A2 | NOVEL ORTHO-NAPHTHOQUINONE DERIVATIVES, NOVEL SYNTHESIS THEREFOR, AND THEIR USE IN THE INHIBITION OF NEOPLASTIC CELL GROWTH | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1997-09-04 | — | — | WO | disclosed |