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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 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 SCHEMBL278652 | 0.89 | TDP1 (0.50) | TDP1CA1CA2CA7CA9 | |
| Glycerin SCHEMBL8079924 | 0.86 | CA1 (0.44) | CA1CA2CA7CA9CA4 | |
| Propylene Glycol SCHEMBL8520043 | 0.85 | TDP1 (0.46) | TDP1CA1CA2CA7CA9 | |
| Sulfuric Acid SCHEMBL4507170 | 0.84 | CA1 (0.47) | TDP1CA1CA2CA7CA9 | |
| Propylene Glycol SCHEMBL27763183 | 0.84 | TDP1 (0.40) | TDP1CA1CA2CA7CA9 | |
| Propylene Glycol SCHEMBL243616 | 0.84 | TDP1 (0.40) | TDP1CA1CA2CA7CA9 | |
| Sulfuric Acid SCHEMBL2433745 | 0.82 | CA2 (0.39) | TDP1CA1CA2CA7CA9 | |
| Sulfuric Acid SCHEMBL31310 | 0.82 | CA2 (0.39) | TDP1CA1CA2CA7CA9 | |
| Sulfuric Acid SCHEMBL27511669 | 0.82 | CA2 (0.39) | TDP1CA1CA2CA7CA9 | |
| Sulfuric Acid SCHEMBL9769075 | 0.82 | CA1 (0.46) | TDP1CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3442928-A1 | AERATED CONCRETE MOULDED BODY COMPRISING AN OVERLAYER AND/OR UNDERLAYER | MegaPore R&D GmbH (DE) | 2019-02-20 | — | — | EP | disclosed |