Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Tetraethylene 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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SLCO1B3 | Q9NPD5 | 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 | |
|---|---|---|---|---|
| Pentaethylene Glycol SCHEMBL4148519 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| SCHEMBL4140373 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| Triethylene Glycol SCHEMBL29198607 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| Triethylene Glycol SCHEMBL1627441 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| Hexaethylene Glycol SCHEMBL4154184 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| SCHEMBL4143918 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| SCHEMBL4149482 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| Pentaethylene Glycol SCHEMBL28557049 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| Tetraethylene Glycol SCHEMBL4143923 | 1.00 | MEN1 (0.61) | MEN1KMT2ATSHRMAPK1THRB | |
| Di(Hydroxyethyl)Ether SCHEMBL1790189 | 0.97 | TSHR (0.59) | MEN1KMT2ATSHRMAPK1THRB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001052899-A1 | CHELATING AGENTS AND METHOD FOR THEIR USE AS TANDEM METAL CHELATORS AND HYDROPHILIC SPACERS FOR MEDICAL DIAGNOSIS AND THERAPY | MALLINCKRODT INC. (US) | 2001-07-26 | — | — | WO | claimed |
| CN-117126068-A | Compound and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-109963838-B | Dimeric contrast agents | 伯拉考成像股份公司 | 2023-04-11 | — | — | CN | disclosed |
| CN-108368067-B | Dimeric contrast agents | 伯拉考成像股份公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-104470547-A | Method for synthesizing radiopharmaceuticals using a cartridge | FUTURECHEM CO LTD | 2015-03-25 | — | — | CN | disclosed |
| WO-2001052898-A9 | METHODS FOR INCORPORATING METAL CHELATORS AT CARBOXYL-TERMINAL SITE OF PEPTIDES | MALLINCKRODT INC (US) | 2002-10-31 | — | — | WO | disclosed |
| WO-2001052898-A1 | METHODS FOR INCORPORATING METAL CHELATORS AT CARBOXYL-TERMINAL SITE OF PEPTIDES | MALLINCKRODT INC. (US) | 2001-07-26 | — | — | WO | disclosed |
| WO-2001052900-A2 | NOVEL ORTHOGONALLY PROTECTED AMINO ACID CHELATORS FOR BIOMEDICAL APPLICATIONS | MALLINCKRODT INC. (US) | 2001-07-26 | — | — | WO | disclosed |