Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL23795332 | 0.86 | TSHR (0.56) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| SCHEMBL10834211 | 0.83 | CYP2C19 (0.59) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| SCHEMBL36990 | 0.83 | CYP2C19 (0.59) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Methyl Isobutyl Ketone SCHEMBL10350337 | 0.82 | ALDH1A1 (0.70) | CYP2C19ALDH1A1LMNATDP1CA2 | |
| Methyl Isobutyl Ketone SCHEMBL8039232 | 0.82 | ALDH1A1 (0.70) | CYP2C19ALDH1A1LMNATDP1CA2 | |
| 3-Methylbutanoic Acid SCHEMBL27465475 | 0.82 | SLC22A6 (0.50) | ALDH1A1LMNATDP1SLC22A6 | |
| Ethylene Glycol SCHEMBL27955270 | 0.80 | CYP2C19 (0.52) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Alcohol SCHEMBL20395043 | 0.80 | CYP2C19 (0.52) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Fluoride SCHEMBL5203462 | 0.80 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1ACHECA2 | |
| Hydrogen Peroxide SCHEMBL16799548 | 0.80 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1ACHECA2 |
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-6096692-A | CYLIC KETALS AND ACDTALS HAVING HEAT AND OXIDATION RESISTANCE, ARE FREE FROM CARBOXYLIC ACIDS FORMING DUE TO HYDROLYSIS, LOW IN HYGROSCOPICITY, INEXPENSIVE, GOOD INSULATION AND COMPATIBLE WITH HYDROFLUOROCARBONS; WORKING FLUID REFRIGERANTS | KAO CORPORATION (JP) | 2000-08-01 | — | — | US | disclosed |