Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5943678 | 0.85 | ALDH1A1 (0.75) | ALDH1A1ALOX15MAPTMAPK1TDP1 | |
| SCHEMBL9420907 | 0.82 | CYP1A2 (0.48) | ALDH1A1ALOX15CYP2A6 | |
| SCHEMBL8672704 | 0.81 | CA1 (0.55) | ALDH1A1ALOX15CA1CA2CA7 | |
| SCHEMBL9175386 | 0.78 | ALDH1A1 (0.65) | ALDH1A1ALOX15MAPK1LMNAHSD17B10 | |
| SCHEMBL11811353 | 0.78 | ALDH1A1 (0.65) | ALDH1A1ALOX15CA1CA2CA9 | |
| SCHEMBL3482075 | 0.77 | CA1 (0.50) | ALDH1A1ALOX15CA1CA2CA7 | |
| SCHEMBL29403480 | 0.76 | HSD11B1 (0.58) | ALDH1A1ALOX15CA1CA2CA7 | |
| SCHEMBL5545791 | 0.76 | ALDH1A1 (0.62) | ALDH1A1ALOX15CA1CA2CA9 | |
| SCHEMBL8983667 | 0.76 | ALDH1A1 (0.62) | ALDH1A1ALOX15MAPTMAPK1LMNA | |
| SCHEMBL7128923 | 0.76 | CA1 (0.55) | ALDH1A1ALOX15CA1CA2CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110423185-B | Method for selectively oxidizing cumene compound | 浙江工业大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-110423185-A | Method for selectively oxidizing cumene compound | UNIV ZHEJIANG TECHNOLOGY | 2019-11-08 | — | — | CN | disclosed |
| US-4560811-A | LEWIS ACID CATALYST, CHIRAL GLYCOL, PEROXY COMPOUNDS, OLEFINS OREPOXZIDES; INTERMEDIATES FOR DRUGS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1985-12-24 | — | — | US | disclosed |