Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLQ | O75417 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11749911 | 0.82 | ADRB2 (0.33) | POLQEPHX2ARPDK2ACMSD | |
| SCHEMBL9722928 | 0.82 | EPHX2 (0.47) | EPHX2HDAC4HDAC2HDAC8ACMSD | |
| SCHEMBL9861313 | 0.82 | EPHX2 (0.38) | POLQEPHX2PROKR1FLT4PTK2 | |
| SCHEMBL10947771 | 0.76 | GABRA1 (0.43) | EPHX2 | |
| SCHEMBL11798587 | 0.74 | EPHX2 (0.48) | EPHX2KDM4E | |
| SCHEMBL9861305 | 0.73 | PTGDR2 (0.44) | KDM4EPTPN5 | |
| SCHEMBL9862041 | 0.72 | HSPA5 (0.58) | ARHTR2APTPN5 | |
| SCHEMBL29316723 | 0.72 | ESR1 (0.39) | POLQPTPN5 | |
| SCHEMBL13888162 | 0.70 | GABRA1 (0.38) | POLQPTPN5 | |
| SCHEMBL11799489 | 0.70 | CA2 (0.50) | KDM4E |
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 |