Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20665025 | 0.80 | TRPA1 (0.39) | CYP2A6CYP1A2ALDH1A1CA1CA2 | |
| SCHEMBL1688313 | 0.79 | TSHR (0.43) | CYP2A6CYP1A2ALDH1A1ARCA1 | |
| SCHEMBL9252139 | 0.77 | CA1 (0.42) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL9574449 | 0.77 | CYP3A4 (0.32) | ALDH1A1TSHRACHE | |
| SCHEMBL15899168 | 0.73 | CA1 (0.38) | CYP1A2ALDH1A1CA1CA2CA7 | |
| SCHEMBL9488226 | 0.72 | HAO1 (0.47) | CYP2A6CYP1A2ALDH1A1ARSCN4A | |
| SCHEMBL31345520 | 0.69 | AR (0.46) | ARCA1CA2CA7CA9 | |
| SCHEMBL9488037 | 0.68 | HTR1A (0.45) | CYP2A6CYP1A2ALDH1A1ARSCN4A | |
| SCHEMBL2320126 | 0.65 | CYP2A6 (0.38) | CYP2A6CYP1A2ALDH1A1SCN4ACA1 | |
| SCHEMBL7186706 | 0.65 | CA4 (0.33) | CYP1A2ALDH1A1CA1CA2CA7 |
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-0310944-B1 | BISOXETHYLSULFONYLMETHYL ANILINES AND PROCESS FOR THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-01-13 | — | — | EP | disclosed |
| EP-0310944-A2 | Bisoxethylsulfonylmethyl anilines and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-04-12 | — | — | EP | disclosed |