Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Ethylene 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.80 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.80 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | NT5E | P21589 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL4333640 | 1.00 | TSHR (0.80) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| 1,3-Propanediol SCHEMBL16044212 | 0.91 | TSHR (0.73) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| 1,4-Butanediol SCHEMBL28575010 | 0.91 | TSHR (0.73) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL30307036 | 0.89 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| Benzene SCHEMBL9751882 | 0.89 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL3409457 | 0.89 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL30812783 | 0.89 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL597672 | 0.89 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL2509 | 0.89 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL30671620 | 0.89 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106749279-A | Transport protein TSPO, 18kDa Novel Ligands SXH 1001 and its preparation method and application | 厦门大学附属中山医院 | 2017-05-31 | — | — | CN | claimed |
| CN-114702472-A | Preparation method for synthesizing aliphatic crown ether by oligomerization of ethylene oxide | 浙江肯特催化材料科技有限公司 | 2022-07-05 | — | — | CN | disclosed |
| CN-108822015-B | Method for synthesizing beta-carotene | 厦门金达威集团股份有限公司 | 2020-09-11 | — | — | CN | disclosed |
| CN-107817066-B | Pressure-sensitive compound, pressure-sensitive material, preparation method of pressure-sensitive material and pressure-sensitive film | 郭庚汶 | 2020-03-31 | — | — | CN | disclosed |
| CN-108047112-B | Method for synthesizing β -carotene by vitamin A one-pot method | 厦门金达威维生素有限公司 | 2020-02-21 | — | — | CN | disclosed |
| CN-108822015-A | The synthetic method of beta carotene | 厦门金达威集团股份有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-108047112-A | A kind of method of vitamin A one pot process beta carotene | 厦门金达威维生素有限公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-106749279-A | Transport protein TSPO, 18kDa Novel Ligands SXH 1001 and its preparation method and application | 厦门大学附属中山医院 | 2017-05-31 | — | — | CN | disclosed |
| US-20090117314-A1 | PROCESS FOR THE PREPARATION OF POLYCARBONATE BY THE MELT TRANSESTERIFICATION METHOD | BAYER MATERIALSCIENCE AG (DE) | 2009-05-07 | — | — | US | disclosed |
| CN-100368426-C | Anthraquinone ramification of rhubarb, preparing method and combination of medication by using the ramification as active ingredient | MEDICAL COLLEGE OF PEOPLE S AR (CN) | 2008-02-13 | — | — | CN | disclosed |
| CN-1660884-A | Anthraquinone ramification of rhubarb, preparing method and combination of medication by using the ramification as active ingredient | MEDICAL COLLEGE OF PEOPLE S AR (CN) | 2005-08-31 | — | — | CN | disclosed |