Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPN | P05981 | 1/20 | 0.47 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21083093 | 0.91 | CA2 (0.54) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL35141 | 0.89 | CA2 (0.67) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL9861344 | 0.86 | CA2 (0.58) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL9861799 | 0.85 | CYP2C19 (0.50) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL23542364 | 0.85 | ALDH1A1 (0.43) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL8986512 | 0.84 | CA2 (0.61) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL9861931 | 0.83 | CA2 (0.50) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| Trimethylammonium SCHEMBL29145211 | 0.82 | CA2 (0.58) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL8548952 | 0.82 | CA2 (0.58) | CA2CA1ALDH1A1SMN1; SMN2POLB | |
| SCHEMBL9191121 | 0.80 | CA2 (0.47) | CA2CA1ALDH1A1SMN1; SMN2POLB |
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 |