Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861535 | 0.89 | POLB (0.39) | POLBCACNA1HCACNA1GCACNA1CALDH1A1 | |
| SCHEMBL21615516 | 0.87 | POLB (0.43) | POLBRAPGEF4CACNA1HCACNA1GCACNA1C | |
| SCHEMBL10342450 | 0.85 | POLB (0.70) | POLBALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL9861925 | 0.83 | POLB (0.61) | POLBALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL532346 | 0.82 | POLB (0.56) | POLBRAPGEF4ALDH1A1TSHRTP53 | |
| Hydrochloric Acid SCHEMBL19857169 | 0.80 | POLB (0.61) | POLBRAPGEF4ALDH1A1TSHRTP53 | |
| SCHEMBL9861913 | 0.80 | POLB (0.42) | POLBALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL25767375 | 0.78 | RAPGEF4 (0.37) | POLBRAPGEF4CACNA1HCACNA1GCACNA1C | |
| SCHEMBL16022232 | 0.78 | ALDH1A1 (0.52) | POLBRAPGEF4ALDH1A1TSHRTP53 | |
| SCHEMBL8943131 | 0.78 | POLB (0.65) | POLBALDH1A1TSHRTP53CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0336371-A2 | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-11 | — | — | EP | disclosed |
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | disclosed |
| US-4845258-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-07-04 | — | — | US | disclosed |
| US-4804774-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804772-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804773-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |