Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 5/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861355 | 0.89 | POLB (0.50) | POLBCACNA1HCACNA1CCACNA1GKIF11 | |
| SCHEMBL9861480 | 0.86 | POLB (0.46) | POLBCACNA1HCACNA1CCACNA1GKIF11 | |
| SCHEMBL139484 | 0.82 | POLB (0.56) | POLBALDH1A1TSHRMAPK1HSP90AA1 | |
| SCHEMBL394903 | 0.82 | TSHR (0.41) | POLBCACNA1HCACNA1CCACNA1GKIF11 | |
| SCHEMBL9861477 | 0.82 | POLB (0.37) | POLBALDH1A1TSHRMAPK1HSP90AA1 | |
| SCHEMBL23344915 | 0.79 | PTPN5 (0.39) | POLBCACNA1HCACNA1CCACNA1GKIF11 | |
| SCHEMBL9861487 | 0.79 | POLB (0.43) | POLBKIF11ALDH1A1MAPK1HSP90AA1 | |
| SCHEMBL9861344 | 0.76 | CA2 (0.58) | POLBALDH1A1TSHRMAPK1KDM4E | |
| SCHEMBL278761 | 0.76 | FFAR1 (0.44) | KIF11ALDH1A1TSHRMAPK1NOS3 | |
| SCHEMBL1548955 | 0.75 | POLB (0.37) | POLBALDH1A1KDM4ECYP1A2MAPT |
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 |