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 | 8/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.70 |
| ▸ | TP53 | P04637 | 3/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.70 |
| ▸ | THRB | P10828 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 SCHEMBL8851384 | 0.95 | TSHR (0.63) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| Propylene Glycol SCHEMBL8850674 | 0.95 | TSHR (0.63) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| Propylene Glycol SCHEMBL29087042 | 0.87 | TSHR (0.52) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| Propylene Glycol SCHEMBL28111564 | 0.87 | TSHR (0.73) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| Propylene Glycol SCHEMBL6681454 | 0.85 | TSHR (0.58) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL18134826 | 0.84 | TSHR (1.00) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL4602612 | 0.84 | TSHR (1.00) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL12701599 | 0.84 | TSHR (1.00) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL25514 | 0.84 | TSHR (1.00) | TSHRALDH1A1TP53HIF1AHSD17B10 | |
| SCHEMBL56001 | 0.84 | TSHR (1.00) | TSHRALDH1A1TP53HIF1AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006038735-A1 | RESIN COMPOSITION FOR OPTICAL PACKAGING MATERIAL AND PROCESS FOR PREPARING THE SAME, AND OPTICAL PACKAGING MATERIAL, OPTICAL PACKAGING COMPONENT, AND OPTICAL MODULE | NIPPON SHOKUBAI CO., LTD. (JP) | 2006-04-13 | — | — | WO | disclosed |