Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Dibromomethane SCHEMBL7950072 | 0.77 | TDP1 (0.75) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| Dibromomethane SCHEMBL5329477 | 0.77 | TDP1 (0.75) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| 1,2-Dibromoethane SCHEMBL28837174 | 0.74 | TDP1 (0.71) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL30598562 | 0.74 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL29479421 | 0.74 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL578142 | 0.74 | — | — | |
| SCHEMBL29671537 | 0.74 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL7364761 | 0.73 | CYP3A4 (0.48) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| Benzyl Bromide SCHEMBL1043932 | 0.73 | TSHR (0.70) | CYP3A4TDP1ESR1ESR2TRPA1 | |
| SCHEMBL3960905 | 0.72 | ALDH1A1 (0.37) | CYP3A4TDP1TRPA1ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0240121-B1 | DIPHENYL ETHER DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-04-17 | — | — | EP | disclosed |
| EP-0390228-A2 | Chemical intermediates | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-10-03 | — | — | EP | disclosed |
| US-4791139-A | Diphenyl ether derivatives and their use as insecticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-13 | — | — | US | disclosed |
| EP-0240121-A2 | Diphenyl ether derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-10-07 | — | — | EP | disclosed |