Known targets — ChEMBL curated mechanism
DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA
The experimentally established mechanism targets of Diethylene Glycol Monoethyl Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.30 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Triethylene Glycol SCHEMBL8622222 | 0.89 | MEN1 (0.61) | ALDH1A1MEN1KMT2ATSHRLMNA | |
| Diethylene Glycol Monoethyl Ether SCHEMBL15253716 | 0.86 | ALDH1A1 (0.67) | ALDH1A1MEN1KMT2ATSHRLMNA | |
| Tromethamine SCHEMBL21462763 | 0.86 | MEN1 (0.59) | ALDH1A1MEN1KMT2ATSHRLMNA | |
| Diethylene Glycol Monoethyl Ether SCHEMBL2743512 | 0.83 | ALDH1A1 (0.88) | ALDH1A1MEN1KMT2ATSHRLMNA | |
| SCHEMBL18418083 | 0.83 | ALDH1A1 (0.88) | ALDH1A1MEN1KMT2ATSHRLMNA | |
| Diethylene Glycol Monoethyl Ether SCHEMBL16318328 | 0.83 | ALDH1A1 (0.88) | ALDH1A1MEN1KMT2ATSHRLMNA | |
| Diethylene Glycol Monoethyl Ether SCHEMBL16399 | 0.83 | — | — | |
| Triethylene Glycol SCHEMBL21647314 | 0.83 | ALDH1A1 (0.88) | ALDH1A1MEN1KMT2ATSHRLMNA | |
| SCHEMBL15659 | 0.83 | ALDH1A1 (0.88) | ALDH1A1MEN1KMT2ATSHRLMNA | |
| SCHEMBL3268631 | 0.83 | ALDH1A1 (0.88) | ALDH1A1MEN1KMT2ATSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1556001-A2 | THERAPEUTIC COMPOSITIONS FOR DRUG DELIVERY TO AND THROUGH COVERING EPITHELIA | UMD, Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| US-20040151774-A1 | Therapeutic compositions for drug delivery to and through covering epithelia | UMD, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004041118-A2 | THERAPEUTIC COMPOSITIONS FOR DRUG DELIVERY TO AND THROUGH COVERING EPITHELIA | UMD, INC. (US) | 2004-05-21 | — | — | WO | disclosed |