Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL156543 | 0.95 | NQO1 (0.74) | NQO1TDP1TSHRMAPTMAOB | |
| SCHEMBL2622512 | 0.88 | LTA4H (0.65) | NQO1TDP1TSHRMAPTMAOB | |
| SCHEMBL13756271 | 0.88 | NQO1 (0.64) | NQO1TDP1TSHRMAPTMAOB | |
| SCHEMBL6342735 | 0.85 | NQO1 (0.58) | NQO1TDP1TSHRMAPTMAOB | |
| SCHEMBL9810597 | 0.83 | NQO1 (0.56) | NQO1TDP1TSHRMAPTMAOB | |
| SCHEMBL7176444 | 0.83 | MAOB (0.67) | NQO1MAPTMAOBALDH1A1 | |
| SCHEMBL11201059 | 0.83 | KDM4E (0.62) | NQO1TDP1TSHRMAPTKDM4E | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.82 | NQO1 (1.00) | NQO1TDP1TSHRMAPTLTA4H | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.82 | NQO1 (1.00) | NQO1TDP1TSHRMAPTLTA4H | |
| SCHEMBL9115223 | 0.81 | MAOB (0.55) | NQO1TDP1TSHRMAPTMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992013820-A1 | PROCESS FOR THE PREPARATION OF ALKYL-4-HALOPHENYL ETHERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-08-20 | — | — | WO | disclosed |