Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 4/20 | 0.47 |
| ▸ | POR | P16435 | 4/20 | 0.47 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 SCHEMBL29468606 | 0.83 | NQO1 (0.63) | NQO1PORIDO1ALOX15ALDH1A1 | |
| (3R)-Dunnione SCHEMBL103115 | 0.83 | NQO1 (0.63) | NQO1PORIDO1ALOX15ALDH1A1 | |
| (3R)-Dunnione SCHEMBL6052903 | 0.76 | NQO1 (0.56) | NQO1PORIDO1ALOX15ALDH1A1 | |
| (3R)-Dunnione SCHEMBL8538701 | 0.75 | METAP1 (0.55) | NQO1PORIDO1TDO2ALDH1A1 | |
| Anthraquinone SCHEMBL28686015 | 0.74 | IDO1 (0.55) | IDO1TDO2ALOX15ALDH1A1KDM4E | |
| (3R)-Dunnione SCHEMBL8535192 | 0.74 | NQO1 (0.44) | NQO1PORALDH1A1KDM4EMEN1 | |
| Alpha-Dunnione SCHEMBL940069 | 0.73 | NQO1 (0.56) | NQO1PORIDO1ALOX15ALDH1A1 | |
| SCHEMBL8260282 | 0.71 | NQO1 (0.52) | NQO1PORIDO1ALOX15ALDH1A1 | |
| Phthalimide SCHEMBL4702746 | 0.68 | GSK3B (0.54) | IDO1TDO2ALOX15ALDH1A1KDM4E | |
| Benzimidazole SCHEMBL19876247 | 0.66 | SMN1; SMN2 (0.46) | IDO1TDO2ALOX15ALDH1A1KDM4E |
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-0861028-A1 | FUNGICIDAL COMPOUNDS (B) | BTG INTERNATIONAL LIMITED (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997016970-A1 | FUNGICIDAL COMPOUNDS (B) | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-05-15 | — | — | WO | disclosed |