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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | LAP3 | P28838 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
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 SCHEMBL28260579 | 1.00 | LMNA (0.50) | LMNATDP1ADRB2ADRB1CYP2D6 | |
| SCHEMBL3258151 | 0.85 | LMNA (0.49) | LMNATDP1ADRB2ADRB1CYP2D6 | |
| Propane SCHEMBL28909775 | 0.81 | LTA4H (0.40) | LMNAALDH1A1RECQLCHRNB2CHRNB4 | |
| Ethylene Glycol SCHEMBL16822397 | 0.81 | ALDH1A1 (0.48) | LMNATDP1ALDH1A1RECQLLTA4H | |
| Ethane SCHEMBL28540552 | 0.81 | CA4 (0.43) | LMNAALDH1A1RECQLLTA4HTSHR | |
| SCHEMBL126344 | 0.81 | LTA4H (0.45) | LMNAALDH1A1RECQLLTA4HTSHR | |
| SCHEMBL30275406 | 0.81 | LTA4H (0.45) | LMNAALDH1A1RECQLLTA4HTSHR | |
| Butane SCHEMBL28526659 | 0.79 | LTA4H (0.41) | LMNAALDH1A1RECQLCHRNB2CHRNB4 | |
| Diphenylether SCHEMBL50452 | 0.79 | LMNA (0.57) | LMNATDP1ALDH1A1NPY5RLTA4H | |
| Fluoromethane SCHEMBL27673510 | 0.79 | CA4 (0.42) | LMNAALDH1A1RECQLLTA4HTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6002004-A | Pyrrolodiazine derivatives as stabilizers for chilorine-containing polymers | WITCO VINYL ADDITIVES GMBH (DE) | 1999-12-14 | — | — | US | disclosed |
| US-5770643-A | Pyrrolodiazine derivatives as stabilizers for chlorine-containing polymers | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-06-23 | — | — | US | disclosed |