Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 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 | |
|---|---|---|---|---|
| SCHEMBL9861301 | 0.85 | GABRA1 (0.44) | GABRA1GABRB2PTPN5PGRHMGB1 | |
| SCHEMBL9861499 | 0.83 | KDM4E (0.46) | GABRA1GABRB2PGRELANEKDM4E | |
| SCHEMBL10337449 | 0.74 | GABRA1 (0.48) | GABRA1GABRB2HMGB1CXCL12KDM4E | |
| SCHEMBL22778226 | 0.72 | LMNA (0.55) | GABRA1GABRB2KDM4EMEN1LMNA | |
| SCHEMBL29525444 | 0.72 | LMNA (0.55) | GABRA1GABRB2KDM4EMEN1LMNA | |
| SCHEMBL8772297 | 0.71 | HMGB1 (0.58) | GABRA1GABRB2HMGB1CXCL12KDM4E | |
| SCHEMBL15342325 | 0.71 | LMNA (0.48) | GABRA1GABRB2LMNAHTT | |
| SCHEMBL9490289 | 0.71 | GABRA1 (0.45) | GABRA1GABRB2HMGB1CXCL12KDM4E | |
| SCHEMBL8762782 | 0.70 | HSPA5 (0.46) | GABRA1GABRB2HMGB1CXCL12MEN1 | |
| SCHEMBL11755073 | 0.69 | CYP2C19 (0.46) | GABRA1GABRB2PGRHMGB1CXCL12 |
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 |