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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL28710964 | 0.96 | TDP1 (0.48) | TDP1ALDH1A1TSHRHSD17B10OR51E2 | |
| Propylene Glycol SCHEMBL151562 | 0.96 | TDP1 (0.48) | TDP1ALDH1A1TSHRHSD17B10OR51E2 | |
| Propylene Glycol SCHEMBL2481279 | 0.89 | TDP1 (0.50) | TDP1ALDH1A1TSHRHSD17B10OR51E2 | |
| Propylene Glycol SCHEMBL28174906 | 0.89 | TDP1 (0.56) | TDP1ALDH1A1TSHRHSD17B10LMNA | |
| Propylene Glycol SCHEMBL28102165 | 0.89 | TDP1 (0.56) | TDP1ALDH1A1TSHROR51E2TP53 | |
| Propylene Glycol SCHEMBL58534 | 0.89 | TDP1 (0.56) | TDP1ALDH1A1TSHROR51E2TP53 | |
| Propylene Glycol SCHEMBL28261417 | 0.89 | TDP1 (0.56) | TDP1ALDH1A1TSHROR51E2TP53 | |
| Propylene Glycol SCHEMBL140963 | 0.87 | ALDH1A1 (0.43) | TDP1ALDH1A1TSHRHSD17B10LMNA | |
| Propylene Glycol SCHEMBL186272 | 0.87 | ALDH1A1 (0.43) | TDP1ALDH1A1TSHRHSD17B10LMNA | |
| Propylene Glycol SCHEMBL27714310 | 0.87 | TDP1 (0.43) | TDP1ALDH1A1TSHRHSD17B10OR51E2 |
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-105254843-B | Polyisocyantates composition, blocked polyisocyanates composition and their manufacturing method | 旭化成株式会社 | 2019-08-06 | — | — | CN | disclosed |