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 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| 1,3-Butanediol SCHEMBL8580610 | 0.86 | TDP1 (0.44) | TDP1TSHRCYP3A4MAPTCYP2C9 | |
| Propylene Glycol SCHEMBL28099194 | 0.86 | TDP1 (0.42) | TDP1TSHRCYP3A4MAPTCYP2C9 | |
| Propylene Glycol SCHEMBL7626719 | 0.86 | TDP1 (0.42) | TDP1TSHRCYP3A4MAPTCYP2C9 | |
| Propylene Glycol SCHEMBL1075330 | 0.86 | CYP3A4 (0.42) | TDP1TSHRCYP3A4MAPTCYP2C9 | |
| Glycerin SCHEMBL8595519 | 0.85 | ALDH1A1 (0.39) | TDP1TSHRCYP3A4MAPTCACNA1B | |
| SCHEMBL8577366 | 0.84 | TDP1 (0.36) | TDP1TSHRCYP3A4MAPTCYP2C9 | |
| SCHEMBL9928 | 0.82 | CYP3A4 (0.48) | TDP1TSHRCYP3A4MAPTCACNA1B | |
| SCHEMBL28832801 | 0.80 | TDP1 (0.43) | TDP1TSHRCYP3A4MAPTCACNA1B | |
| SCHEMBL5551329 | 0.80 | LMNA (0.39) | TDP1TSHRCYP3A4MAPTCACNA1B | |
| Ethylene Glycol SCHEMBL1237379 | 0.80 | CYP3A4 (0.43) | TDP1TSHRCYP3A4MAPTCACNA1B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4563416-A | NEUTRONS, ALPHA RAYS, COSMIC RAYS | TOKUYAMA SODA KABUSHIKI KAISHA (JP) | 1986-01-07 | — | — | US | claimed |
| EP-0136653-A2 | Solid state track detector | TOKUYAMA SODA KABUSHIKI KAISHA (JP) | 1985-04-10 | — | — | EP | claimed |
| US-8648130-B2 | Resin composition, transparent member obtained from the resin composition, and use of the same | MITSUI CHEMICALS, INC. (JP) | 2014-02-11 | — | — | US | disclosed |
| US-20100256271-A1 | RESIN COMPOSITION, TRANSPARENT MEMBER OBTAINED FROM THE RESIN COMPOSITION, AND USE OF THE SAME | MITSUI CHEMICALS, INC. (JP) | 2010-10-07 | — | — | US | disclosed |
| EP-2223969-A1 | RESIN COMPOSITION, TRANSPARENT MEMBER OBTAINED FROM THE RESIN COMPOSITION, AND USE OF THE SAME | Mitsui Chemicals, Inc. (JP) | 2010-09-01 | — | — | EP | disclosed |
| US-4563416-A | NEUTRONS, ALPHA RAYS, COSMIC RAYS | TOKUYAMA SODA KABUSHIKI KAISHA (JP) | 1986-01-07 | — | — | US | disclosed |
| EP-0136653-A2 | Solid state track detector | TOKUYAMA SODA KABUSHIKI KAISHA (JP) | 1985-04-10 | — | — | EP | disclosed |