Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7526557 | 0.77 | — | — | |
| SCHEMBL5052176 | 0.77 | KDM4E (0.31) | ALDH1A1HSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL2911815 | 0.77 | TP53 (0.46) | ALDH1A1CYP3A4HSD17B10PKMHPGD | |
| SCHEMBL1688313 | 0.70 | TSHR (0.43) | ALDH1A1CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL8265860 | 0.69 | ACHE (0.44) | ALDH1A1HSD17B10HPGD | |
| SCHEMBL9712096 | 0.68 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL23762910 | 0.67 | ESR1 (0.52) | ALDH1A1CYP3A4TSHRHSD17B10HPGD | |
| SCHEMBL23252501 | 0.67 | ACHE (0.48) | ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL14878253 | 0.67 | CYP2A6 (0.52) | ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL10597045 | 0.66 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRHSD17B10HPGD |
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 |