Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CA6 | P23280 | 2/20 | 0.68 |
| ▸ | THRB | P10828 | 2/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.68 |
| ▸ | CASP1 | P29466 | 2/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.68 |
| ▸ | CA3 | P07451 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 8/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 4/20 | 0.54 |
| ▸ | CA9 | Q16790 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | NT5E | P21589 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 4-Aminophenol SCHEMBL17436623 | 0.92 | ALDH1A1 (0.72) | ALDH1A1CA14CYP3A4CA6THRB | |
| 4-Aminophenol SCHEMBL1028523 | 0.92 | ALDH1A1 (0.72) | ALDH1A1CA14CYP3A4CA6THRB | |
| 4-Aminophenol SCHEMBL22462461 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CA14CYP3A4CA6THRB | |
| Hydroquinone SCHEMBL9458925 | 0.83 | TSHR (0.82) | ALDH1A1CA14CYP3A4CA6THRB | |
| 4-Aminophenol SCHEMBL6753971 | 0.83 | ALDH1A1 (1.00) | ALDH1A1CA14CYP3A4CA6THRB | |
| 4-Aminophenol SCHEMBL3424 | 0.83 | — | — | |
| 4-Aminophenol SCHEMBL4861305 | 0.83 | ALDH1A1 (1.00) | ALDH1A1CA14CYP3A4CA6THRB | |
| 4-Aminophenol SCHEMBL7141388 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CA14CYP3A4CA6THRB | |
| Benzidine SCHEMBL11377570 | 0.81 | CA2 (0.65) | ALDH1A1CA14CYP3A4CA6THRB | |
| 4-Aminophenol SCHEMBL28616632 | 0.80 | ALDH1A1 (0.81) | ALDH1A1CA14CYP3A4CA6THRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1039334-C | Polymer scale preventive agent, polymerization vessel effective in preventing polymer scale deposition, and process of producing polymer using said vessel | SHINETSU CHEMICAL CO (JP) | 1998-07-29 | — | — | CN | disclosed |