Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL21615516 | 0.87 | POLB (0.43) | POLBTSHRCYP3A4ALDH1A1TP53 | |
| SCHEMBL9861480 | 0.85 | POLB (0.46) | POLBHTR1DTSHRALDH1A1FFAR1 | |
| SCHEMBL10342450 | 0.85 | POLB (0.70) | POLBHTR1DHTR1BTSHRCYP3A4 | |
| SCHEMBL9861355 | 0.83 | POLB (0.50) | POLBTSHRCYP3A4ALDH1A1TP53 | |
| SCHEMBL12440998 | 0.82 | POLB (0.39) | POLBTSHRCYP3A4ALDH1A1TP53 | |
| SCHEMBL9861917 | 0.80 | KDM4E (0.42) | POLBTSHRCYP3A4ALDH1A1TP53 | |
| SCHEMBL14410291 | 0.80 | ADRB2 (0.47) | POLBCYP3A4ALDH1A1FFAR1FFAR4 | |
| SCHEMBL9861439 | 0.80 | POLB (0.52) | POLBHTR1DHTR1BTSHRCYP3A4 | |
| SCHEMBL2231480 | 0.79 | POLB (0.94) | POLBHTR1DHTR1BTSHRCYP3A4 | |
| SCHEMBL21479598 | 0.78 | POLB (0.43) | POLBHTR1DHTR1BTSHRCYP3A4 |
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 |