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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.91 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
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 SCHEMBL2067054 | 1.00 | — | — | |
| Propylene Glycol SCHEMBL1059364 | 1.00 | — | — | |
| Propylene Glycol SCHEMBL9140450 | 0.96 | — | — | |
| Propylene Glycol SCHEMBL29058944 | 0.96 | — | — | |
| Propylene Glycol SCHEMBL7522896 | 0.95 | TDP1 (1.00) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Propylene Glycol SCHEMBL161401 | 0.95 | TDP1 (1.00) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Propylene Glycol SCHEMBL15864609 | 0.95 | TDP1 (1.00) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Propylene Glycol SCHEMBL28578 | 0.95 | — | — | |
| Propylene Glycol SCHEMBL724028 | 0.95 | TDP1 (1.00) | TDP1TSHRALDH1A1LMNAL3MBTL1 | |
| Propylene Glycol SCHEMBL3535 | 0.95 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0662004-B1 | USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING | NYCOMED INNOVATION AB (SE) | 1998-03-18 | — | — | EP | disclosed |
| US-5700448-A | Use of persistent free-radicals in magnetic resonance imaging | NYCOMED IMAGING AS (NO) | 1997-12-23 | — | — | US | disclosed |
| US-5435991-A | Use of persistent heterocyclic free-radicals in magnetic resonance imaging | NYCOMED INNOVATION AB (SE) | 1995-07-25 | — | — | US | disclosed |
| EP-0662004-A1 | USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING | Nycomed Innovation AB (SE) | 1995-07-12 | — | — | EP | disclosed |
| WO-1993002710-A2 | USE OF PERSISTENT FREE RADICALS IN MAGNETIC RESONANCE IMAGING | NYCOMED INNOVATION AB (SE) | 1993-02-18 | — | — | WO | disclosed |
| WO-1993002711-A1 | USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING | NYCOMED INNOVATION AB (SE) | 1993-02-18 | — | — | WO | disclosed |