Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Propylene Glycol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.38 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL575555 | 0.89 | TDP1 (0.62) | TDP1OR51E2TP53ALDH1A1TSHR | |
| Propylene Glycol SCHEMBL358822 | 0.87 | TDP1 (0.67) | TDP1OR51E2FFAR3LCKFYN | |
| Propylene Glycol SCHEMBL21828462 | 0.87 | TDP1 (0.67) | TDP1OR51E2FFAR3LCKFYN | |
| Propylene Glycol SCHEMBL36041 | 0.87 | — | — | |
| Propylene Glycol SCHEMBL8850998 | 0.87 | TDP1 (0.67) | TDP1OR51E2FFAR3LCKFYN | |
| Propylene Glycol SCHEMBL49092 | 0.87 | TDP1 (0.67) | TDP1OR51E2FFAR3LCKFYN | |
| Propylene Glycol SCHEMBL28241687 | 0.87 | TDP1 (0.67) | TDP1OR51E2FFAR3LCKFYN | |
| Acetic Acid SCHEMBL2166831 | 0.85 | TGFBR1 (0.38) | TDP1TGFBR1OR51E2FFAR3LCK | |
| 1,3-Butanediol SCHEMBL2166704 | 0.84 | ALDH1A1 (0.38) | TDP1TGFBR1FFAR3LCKFYN | |
| Propylene Glycol SCHEMBL27695057 | 0.84 | TDP1 (0.62) | TDP1OR51E2FFAR3LCKFYN |
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 |
|---|---|---|---|---|---|---|---|
| US-8383274-B2 | Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein | UBE INDUSTRIES, LTD. (JP) | 2013-02-26 | — | — | US | disclosed |
| US-20110183199-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN | UBE INDUSTRIES, LTD. (JP) | 2011-07-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110183199-A1 | NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN | HCN2, KCNN2, KCNB1 | TDP1 2834/4885TGFBR1 4530/4885OR51E2 776/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.