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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL28317518 | 0.86 | TDP1 (0.62) | TDP1CA2CA1TSHRBBOX1 | |
| Propylene Glycol SCHEMBL28118329 | 0.80 | TDP1 (0.62) | TDP1CA2CA1TSHRCA4 | |
| Propionic Acid SCHEMBL28185008 | 0.80 | FFAR3 (0.47) | TDP1CA2CA1TSHRFFAR3 | |
| Propionic Acid SCHEMBL1036588 | 0.80 | CA2 (0.50) | TDP1CA2CA1TSHRFFAR3 | |
| Propionic Acid SCHEMBL52363 | 0.80 | FFAR3 (0.53) | TDP1CA2CA1TSHRFFAR3 | |
| Propionic Acid SCHEMBL1860121 | 0.80 | FFAR3 (0.53) | TDP1CA2CA1TSHRFFAR3 | |
| Glycerin SCHEMBL15136449 | 0.79 | LMNA (0.47) | CA2CA1TSHRFFAR3HDAC3 | |
| Propylene Glycol SCHEMBL5804824 | 0.78 | TDP1 (0.59) | TDP1TSHRFFAR3 | |
| Propylene Glycol SCHEMBL1490297 | 0.78 | TDP1 (0.59) | TDP1TSHRFFAR3HDAC3HDAC1 | |
| Propylene Glycol SCHEMBL11215067 | 0.78 | TDP1 (0.59) | TDP1CA2CA1TSHRBBOX1 |
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-108740399-A | It is a kind of to be used for the compound premixed feed and its application that milk cow postpartum gavages | 天津市畜牧兽医研究所 | 2018-11-06 | — | — | CN | disclosed |