Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL9640869 | 0.83 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL19862410 | 0.79 | CYP3A4 (0.48) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL18048552 | 0.75 | TSHR (0.43) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL5779259 | 0.74 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL1762357 | 0.74 | CYP3A4 (0.52) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL21676593 | 0.71 | CYP3A4 (0.39) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL28796014 | 0.71 | CYP3A4 (0.43) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL6666297 | 0.71 | CYP3A4 (0.43) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL1759613 | 0.69 | CASP1 (0.46) | CYP3A4TSHRALDH1A1CASP1TDP1 | |
| SCHEMBL3815284 | 0.69 | CASP1 (0.46) | CYP3A4TSHRALDH1A1CASP1TDP1 |
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-0295527-A2 | Process for the preparation of 3-aminophenyl-2-hydroxyethylsulfon | BAYER AG (DE) | 1988-12-21 | — | — | EP | disclosed |