Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| SCHEMBL20213993 | 0.81 | APEX1 (0.46) | HSP90AA1APEX1CA12CA1CA2 | |
| SCHEMBL9871798 | 0.78 | APEX1 (0.50) | HSP90AA1APEX1CA12CA1CA2 | |
| SCHEMBL27978393 | 0.70 | TDP1 (0.66) | APEX1CA12CA2ALDH1A1LMNA | |
| SCHEMBL8072923 | 0.69 | TRPV1 (0.46) | HSP90AA1APEX1MRGPRX4SCN5AEPAS1 | |
| SCHEMBL11353322 | 0.68 | CYP3A4 (0.56) | APEX1CA12CA1CA2CA9 | |
| SCHEMBL27709138 | 0.68 | HSP90AA1 (0.54) | HSP90AA1KMOHSD17B10PPARGPPARA | |
| SCHEMBL11100175 | 0.67 | KDM4E (0.49) | MRGPRX4KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL4407031 | 0.67 | HSP90AA1 (0.44) | HSP90AA1APEX1KMOMRGPRX4DAO | |
| SCHEMBL21820786 | 0.67 | HSP90AA1 (0.71) | HSP90AA1KMOSLC6A2SLC6A4SLC6A3 | |
| Sulfuric Acid SCHEMBL15569981 | 0.66 | TP53 (0.70) | HSD17B10ALDH1A1LMNASLC6A2SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3548465-A1 | THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES | The Scripps Research Institute (US) | 2019-10-09 | — | — | EP | disclosed |
| WO-2018102433-A1 | THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2018-06-07 | — | — | WO | disclosed |