Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9862072 | 0.85 | GABRA1 (0.40) | GABRA1GABRB2PTPN5HMGB1CXCL12 | |
| SCHEMBL9861413 | 0.80 | BCL2 (0.46) | BCL2L1 | |
| SCHEMBL9861455 | 0.79 | KDM4E (0.44) | TRPA1ARBACE1 | |
| SCHEMBL10337449 | 0.77 | GABRA1 (0.48) | GABRA1GABRB2HMGB1CXCL12MCL1 | |
| SCHEMBL9861488 | 0.77 | HTT (0.57) | BACE1BCL2L1MCL1 | |
| SCHEMBL22778226 | 0.76 | LMNA (0.55) | GABRA1GABRB2MCL1 | |
| SCHEMBL29525444 | 0.76 | LMNA (0.55) | GABRA1GABRB2MCL1 | |
| SCHEMBL9861935 | 0.75 | CA2 (0.42) | GABRA1GABRB2BACE1BCL2L1MCL1 | |
| SCHEMBL8772297 | 0.74 | HMGB1 (0.58) | GABRA1GABRB2HMGB1CXCL12MCL1 | |
| SCHEMBL15342325 | 0.74 | LMNA (0.48) | GABRA1GABRB2 |
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 |