Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.58 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 5/20 | 0.37 |
| ▸ | HTR2C | P28335 | 5/20 | 0.37 |
| ▸ | HTR2B | P41595 | 5/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9861571 | 0.85 | HSPA5 (0.54) | HSPA5GABRA1GABRB2PTPN5HTR2A | |
| SCHEMBL57329 | 0.82 | HSPA5 (0.82) | HSPA5CYP3A4MEN1GAAKMT2A | |
| SCHEMBL29316723 | 0.81 | ESR1 (0.39) | HSPA5GABRA1GABRB2PTPN5SIGMAR1 | |
| SCHEMBL56804 | 0.79 | HSPA5 (0.61) | HSPA5GABRA1GABRB2CYP3A4DHFR | |
| SCHEMBL13888162 | 0.79 | GABRA1 (0.38) | HSPA5GABRA1GABRB2PTPN5SIGMAR1 | |
| SCHEMBL581480 | 0.79 | GABRA1 (0.52) | HSPA5GABRA1GABRB2CYP3A4DHFR | |
| SCHEMBL9861293 | 0.77 | AR (0.43) | HSPA5HTR2AHTR2CHTR2BAR | |
| SCHEMBL11667559 | 0.77 | HSPA5 (0.57) | HSPA5GABRA1GABRB2CYP3A4DHFR | |
| SCHEMBL14089294 | 0.77 | HSPA5 (0.83) | HSPA5CYP3A4DHFRMEN1GAA | |
| SCHEMBL2349337 | 0.73 | HSPA5 (0.73) | HSPA5CYP3A4DHFRMEN1GAA |
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 |