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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
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 SCHEMBL3634889 | 0.88 | ALDH1A1 (0.50) | ALDH1A1SOAT1TDP1LMNAHSD17B10 | |
| Isopropyl Alcohol SCHEMBL3840029 | 0.87 | ALDH1A1 (0.77) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| Glycerin SCHEMBL11723651 | 0.85 | ALDH1A1 (0.65) | ALDH1A1SOAT1LMNAHSD17B10ALOX15 | |
| Propylene Glycol SCHEMBL544720 | 0.83 | TDP1 (0.48) | ALDH1A1SOAT1TDP1LMNAHSD17B10 | |
| SCHEMBL12650531 | 0.83 | ALDH1A1 (0.62) | ALDH1A1SOAT1TDP1LMNAHSD17B10 | |
| Ethyl Acetate SCHEMBL28957278 | 0.83 | ALDH1A1 (0.67) | ALDH1A1SOAT1TDP1LMNAHSD17B10 | |
| Propylene Glycol SCHEMBL1195350 | 0.83 | TDP1 (0.48) | ALDH1A1SOAT1TDP1LMNAHSD17B10 | |
| Propylene Glycol SCHEMBL7930115 | 0.83 | TDP1 (0.48) | ALDH1A1SOAT1TDP1LMNAHSD17B10 | |
| Ethyl Acetate SCHEMBL564571 | 0.83 | ALDH1A1 (0.67) | ALDH1A1SOAT1TDP1LMNAHSD17B10 | |
| Ethyl Acetate SCHEMBL28454300 | 0.83 | ALDH1A1 (0.67) | ALDH1A1SOAT1TDP1LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4136096-A | REACTING A 3-CYANO-PENAM WITH AN AZIDE | PFIZER INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-4081455-A | ANTIBACTERIAL | PFIZER INC. (US) | 1978-03-28 | — | — | US | disclosed |
| US-3992394-A | PENICILLIN INTERMEDIATES FOR BACTERICIDES | PFIZER INC. (US) | 1976-11-16 | — | — | US | disclosed |