Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Di(Hydroxyethyl)Ether. 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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.33 |
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Di(Hydroxyethyl)Ether SCHEMBL9325783 | 1.00 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL4528960 | 1.00 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL8642258 | 1.00 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL36022 | 1.00 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL28435040 | 1.00 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL271069 | 1.00 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Triethylene Glycol SCHEMBL7049732 | 0.97 | MEN1 (0.65) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Pentaethylene Glycol SCHEMBL9614725 | 0.97 | MEN1 (0.65) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Triethylene Glycol SCHEMBL994880 | 0.97 | MEN1 (0.65) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Acetic Acid SCHEMBL21878891 | 0.97 | MEN1 (0.65) | TSHRMAPK1MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109963620-A | CELL TARGETING CONJUGATES | 林克西斯有限公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-1692881-A | Method for intervention imaging in magnetic resonance tomography | SIEMENS AG (DE) | 2005-11-09 | — | — | CN | disclosed |