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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL27737829 | 0.95 | TSHR (0.66) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Propylene Glycol SCHEMBL28885246 | 0.93 | TSHR (0.63) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Propylene Glycol SCHEMBL8851384 | 0.90 | TSHR (0.63) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Propylene Glycol SCHEMBL8850674 | 0.90 | TSHR (0.63) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Propylene Glycol SCHEMBL17666828 | 0.87 | TSHR (0.60) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Propylene Glycol SCHEMBL5796428 | 0.87 | TSHR (0.70) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Propylene Glycol SCHEMBL6681454 | 0.87 | TSHR (0.58) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| Methyl Alcohol SCHEMBL28276837 | 0.86 | TSHR (0.91) | TSHRALDH1A1TP53HIF1ACYP3A4 | |
| SCHEMBL14875 | 0.85 | — | — | |
| SCHEMBL30363554 | 0.85 | TSHR (1.00) | TSHRALDH1A1TP53HIF1ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106135281-A | A kind of compositions preventing and treating grape owlet moth and preparation method thereof | 叶松 | 2016-11-23 | — | — | CN | claimed |
| CN-106135281-A | A kind of compositions preventing and treating grape owlet moth and preparation method thereof | 叶松 | 2016-11-23 | — | — | CN | disclosed |