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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL727177 | 0.87 | ALDH1A1 (0.50) | TSHRALDH1A1MGAMGAASI | |
| Ethylene Glycol SCHEMBL5797928 | 0.85 | ALDH1A1 (0.44) | TSHRALDH1A1MGAMGAASI | |
| SCHEMBL28482825 | 0.85 | ALDH1A1 (0.48) | TSHRALDH1A1MGAMGAASI | |
| 1,4-Butanediol SCHEMBL5797430 | 0.81 | ALDH1A1 (0.41) | TSHRALDH1A1MGAMGAASI | |
| SCHEMBL18309378 | 0.80 | ALDH1A1 (0.57) | TSHRALDH1A1MGAMGAASI | |
| Propylene Glycol SCHEMBL21836014 | 0.79 | ALDH1A1 (0.65) | TSHRALDH1A1MGAMGAASI | |
| Propylene Glycol SCHEMBL5799048 | 0.77 | TSHR (0.39) | TSHRALDH1A1MGAMGAASI | |
| SCHEMBL27547319 | 0.77 | TSHR (0.45) | TSHRALDH1A1TDP1THRB | |
| Propylene Glycol SCHEMBL27518452 | 0.77 | MGAM (0.68) | TSHRALDH1A1MGAMGAASI | |
| SCHEMBL9463802 | 0.76 | ALDH1A1 (0.46) | TSHRALDH1A1TDP1THRB |
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-2006024885-A1 | PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS | POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) | 2006-03-09 | — | — | WO | claimed |