Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7718229 | 1.00 | ALDH1A1 (0.59) | ALDH1A1ALOX15CYP3A4CA12CA2 | |
| SCHEMBL2969176 | 0.87 | ALDH1A1 (0.70) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| SCHEMBL2969906 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ALOX15ESR1ESR2ACHE | |
| SCHEMBL5550696 | 0.79 | ALDH1A1 (0.59) | ALDH1A1ALOX15CYP3A4LMNAACHE | |
| SCHEMBL2957052 | 0.78 | ESR1 (0.54) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL1492513 | 0.78 | ESR1 (0.68) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL50933 | 0.78 | HDAC4 (0.57) | ALDH1A1ALOX15CYP3A4CA12CA2 | |
| SCHEMBL31284901 | 0.78 | ESR1 (0.68) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL29427097 | 0.78 | HDAC4 (0.57) | ALDH1A1ALOX15CYP3A4CA12CA2 | |
| SCHEMBL29472201 | 0.78 | ALDH1A1 (0.57) | ALDH1A1ALOX15CYP3A4CA12CA2 |
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-110423185-B | Method for selectively oxidizing cumene compound | 浙江工业大学 | 2022-03-18 | — | — | CN | disclosed |