Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6891640 | 0.93 | CYP1A2 (0.48) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL29853846 | 0.88 | CYP2A6 (0.50) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL4642683 | 0.88 | CYP2A6 (0.50) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL1538428 | 0.85 | CYP1A2 (0.41) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL29512148 | 0.85 | CYP1A2 (0.41) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL29853748 | 0.85 | CYP1A2 (0.58) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL28999606 | 0.85 | CYP1A2 (0.58) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL4646013 | 0.84 | HSD17B10 (0.50) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL7501835 | 0.83 | NQO1 (0.46) | NQO1CYP2A6TDP1HSD17B10HPGD | |
| SCHEMBL687284 | 0.83 | NQO1 (0.46) | NQO1CYP2A6TDP1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1262469-B1 | POLYACENE DERIVATIVES AND PRODUCTION THEREOF | JAPAN SCIENCE & TECH AGENCY (JP) | 2012-01-11 | — | — | EP | disclosed |