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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SCN4A | P35499 | 3/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.30 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.30 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 SCHEMBL251122 | 1.00 | TDP1 (0.53) | TDP1HSD17B10TSHRMAPK1ALDH1A1 | |
| Propylene Glycol SCHEMBL27811556 | 1.00 | TDP1 (0.53) | TDP1HSD17B10TSHRMAPK1ALDH1A1 | |
| SCHEMBL7011240 | 0.86 | — | — | |
| Ethylene Glycol SCHEMBL450520 | 0.83 | ALDH1A1 (0.35) | TSHRMAPK1ALDH1A1SCN4ALMNA | |
| Ethylene Glycol SCHEMBL2723632 | 0.83 | ALDH1A1 (0.35) | TSHRMAPK1ALDH1A1SCN4ALMNA | |
| SCHEMBL114351 | 0.83 | — | — | |
| SCHEMBL30985226 | 0.83 | — | — | |
| SCHEMBL19654931 | 0.78 | TP53 (0.35) | TDP1TSHR | |
| Propylene Glycol SCHEMBL535998 | 0.78 | TDP1 (0.59) | TDP1HSD17B10TSHRMAPK1ALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL14054643 | 0.77 | TSHR (0.50) | HSD17B10TSHRMAPK1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0854177-B1 | Ink compositions | XEROX CORP (US) | 2004-03-31 | — | — | EP | disclosed |
| EP-0854177-A1 | Ink compositions | XEROX CORPORATION (US) | 1998-07-22 | — | — | EP | disclosed |
| US-5693128-A | INK COMPRISED OF COLORANT AND REVERSIBLE CROSSLINKED COMPONENT VEHICLE OBTAINED FROM REACTION PRODUCT OF MONOANHYDRIDE AND POLYAMINE | XEROX CORPORATION (US) | 1997-12-02 | — | — | US | disclosed |