Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CD69 | Q07108 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26783094 | 1.00 | ESR1 (0.39) | ESR1CD69ELANEALDH1A1CYP1A2 | |
| SCHEMBL13992501 | 0.95 | ESR1 (0.42) | ESR1CD69ELANEALDH1A1CYP1A2 | |
| SCHEMBL10046742 | 0.87 | ESR1 (0.46) | ESR1ALDH1A1CYP1A2CYP2C19NPSR1 | |
| SCHEMBL14213255 | 0.86 | CD69 (0.54) | CD69ELANEALDH1A1CYP2C19HSD17B10 | |
| SCHEMBL8194998 | 0.86 | CD69 (0.46) | ESR1CD69ELANEALDH1A1CYP1A2 | |
| SCHEMBL10046749 | 0.80 | CD69 (0.59) | CD69ELANEALDH1A1CYP2C19HSD17B10 | |
| SCHEMBL15479693 | 0.80 | BCHE (0.43) | CD69ELANEALDH1A1GAAL3MBTL1 | |
| SCHEMBL13872685 | 0.80 | ESR1 (0.44) | ESR1ALDH1A1CYP2C19KDM4EHSD17B10 | |
| SCHEMBL13872745 | 0.79 | ESR1 (0.43) | ESR1ALDH1A1CYP1A2CYP2C19GAA | |
| SCHEMBL14213234 | 0.78 | LMNA (0.36) | CD69ELANEALDH1A1NPSR1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230382775-A1 | METHOD FOR EXTRACTING SALTS AND TEMPERATURE-REGENERATED EXTRACTING COMPOSITION | ADIONICS (FR) | 2023-11-30 | — | — | US | disclosed |