Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | PPARD | Q03181 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL31232912 | 0.86 | CES2 (0.38) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL15456633 | 0.74 | CES1 (0.52) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL1024397 | 0.72 | CES1 (0.50) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL9998155 | 0.72 | CES1 (0.50) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL23573873 | 0.70 | CES1 (0.48) | CES1CES2ALDH1A1TP53CA1 | |
| Pentane SCHEMBL8915985 | 0.67 | APP (0.46) | ALDH1A1TP53CA1SMN1; SMN2TSHR | |
| SCHEMBL3105101 | 0.67 | ALDH1A1 (0.43) | CES1CES2ALDH1A1TP53SMN1; SMN2 | |
| Hexane SCHEMBL27317543 | 0.67 | SMN1; SMN2 (0.48) | ALDH1A1TP53CA1SMN1; SMN2NAAA | |
| Ethylene Glycol SCHEMBL28684007 | 0.66 | CES1 (0.55) | CES1CES2ALDH1A1TP53CA1 | |
| Pentane SCHEMBL8905837 | 0.65 | APP (0.44) | ALDH1A1TP53CA1SMN1; SMN2TSHR |
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-4346046-A | FROM AMINOARYL-B-HYDROXYETHYLSULFONE AND SULFURIC ACID | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-08-24 | — | — | US | disclosed |