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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GAPDH | P04406 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.30 |
| ▸ | GMNN | O75496 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | GLA | P06280 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
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 SCHEMBL873638 | 0.88 | LMNA (0.39) | TDP1TRPA1ALDH1A1TSHRGAPDH | |
| Alcohol SCHEMBL27966760 | 0.84 | TRPA1 (0.50) | TRPA1ALDH1A1TSHRGAPDHMAPT | |
| SCHEMBL112269 | 0.82 | — | — | |
| SCHEMBL1701371 | 0.82 | — | — | |
| SCHEMBL29822 | 0.82 | — | — | |
| SCHEMBL8214277 | 0.82 | TRPA1 (0.58) | TDP1TRPA1ALDH1A1TSHRGAPDH | |
| Propylene Glycol SCHEMBL28459002 | 0.81 | ALDH1A1 (0.63) | TRPA1ALDH1A1TSHRGAPDHMAPT | |
| Butane SCHEMBL4908504 | 0.79 | TRPA1 (0.55) | TRPA1ALDH1A1TSHRGAPDHMAPT | |
| Hydrochloric Acid SCHEMBL31316970 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL2824935 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106929370-B | Emulsified flavor composition for alcoholic beverages | 高砂香料工业株式会社 | 2022-05-24 | — | — | CN | disclosed |