Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 4/20 | 0.52 |
| ▸ | POR | P16435 | 4/20 | 0.52 |
| ▸ | IDO1 | P14902 | 10/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
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 | 0.86 | NQO1 (0.63) | NQO1PORIDO1ELANEKDM4E | |
| (3R)-Dunnione SCHEMBL29468606 | 0.86 | NQO1 (0.63) | NQO1PORIDO1ELANEKDM4E | |
| Alpha-Dunnione SCHEMBL940069 | 0.81 | NQO1 (0.56) | NQO1PORIDO1ELANEKDM4E | |
| (3R)-Dunnione SCHEMBL6052903 | 0.79 | NQO1 (0.56) | NQO1PORIDO1ELANEKDM4E | |
| SCHEMBL8182473 | 0.73 | NQO1 (0.42) | NQO1PORIDO1ELANEKDM4E | |
| SCHEMBL6052838 | 0.72 | NQO1 (0.57) | NQO1PORIDO1ELANEKDM4E | |
| (3R)-Dunnione SCHEMBL8535310 | 0.71 | NQO1 (0.47) | NQO1PORIDO1KDM4EMEN1 | |
| SCHEMBL6052899 | 0.71 | NQO1 (0.67) | NQO1PORIDO1ELANEKDM4E | |
| SCHEMBL3329489 | 0.71 | NQO1 (0.50) | NQO1PORIDO1ELANEKDM4E | |
| SCHEMBL3331249 | 0.71 | NQO1 (0.50) | NQO1PORIDO1ELANEKDM4E |
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-1848432-B1 | Pharmaceutical composition for the treatment or prevention of diseases involving obesity, diabetes, metabolic syndrome, neuro-degenerative diseases and mitochondria dysfunction diseases | MD BIOALPHA CO LTD (KR) | 2013-07-17 | — | — | EP | disclosed |
| WO-2006088315-A1 | PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES | MD BIOALPHA CO., LTD. (KR) | 2006-08-24 | — | — | WO | disclosed |