Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of N,N-Dimethylethanaminium. 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 | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 4/20 | 0.46 |
| ▸ | MMP2 | P08253 | 4/20 | 0.46 |
| ▸ | MMP1 | P03956 | 3/20 | 0.46 |
| ▸ | MMP3 | P08254 | 3/20 | 0.46 |
| ▸ | MMP8 | P22894 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LAP3 | P28838 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| N,N-Dimethylethanaminium SCHEMBL9049890 | 1.00 | FDPS (0.46) | FDPSMMP2MMP1MMP3MMP8 | |
| N,N-Dimethylethanaminium SCHEMBL7539367 | 1.00 | FDPS (0.46) | FDPSMMP2MMP1MMP3MMP8 | |
| Phosphoric Acid SCHEMBL728521 | 0.83 | MMP2 (0.43) | FDPSMMP2MMP1MMP3MMP8 | |
| Phosphoric Acid SCHEMBL8778363 | 0.83 | MMP2 (0.43) | FDPSMMP2MMP1MMP3MMP8 | |
| Phosphoric Acid SCHEMBL1019439 | 0.79 | FDPS (0.46) | FDPSMMP2MMP1MMP3MMP8 | |
| Phosphoric Acid SCHEMBL192007 | 0.79 | FDPS (0.46) | FDPSMMP2MMP1MMP3MMP8 | |
| Phosphoric Acid SCHEMBL9359318 | 0.79 | FDPS (0.46) | FDPSMMP2MMP1MMP3MMP8 | |
| Phosphoric Acid SCHEMBL28801115 | 0.79 | FDPS (0.46) | FDPSMMP2MMP1MMP3MMP8 | |
| N,N-Dimethylethanaminium SCHEMBL22572517 | 0.79 | PHGDH (0.33) | FDPSMMP2MMP1MMP3MMP8 | |
| Phosphoric Acid SCHEMBL21359160 | 0.79 | FDPS (0.46) | FDPSMMP2MMP1MMP3MMP8 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106397133-A | Synthetic method for metoprolol drug intermediate methyl phenylethyl ether | 厦门安普顿信息科技有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-105503543-A | Synthetic method for medical intermediate methyl phenethyl ether of metoprolol | CHENGDU CARDIFF TECH CO LTD | 2016-04-20 | — | — | CN | disclosed |
| EP-0536147-B1 | ANTISTATIC POLYOLEFIN FOAMS AND FILMS AND METHOD OF MAKING THE FOAM AND ANTISTATIC COMPOSITION | DOW CHEMICAL CO (US) | 1996-11-13 | — | — | EP | disclosed |
| EP-0536147-A4 | ANTISTATIC POLYOLEFIN FOAMS AND FILMS AND METHOD OF MAKING THE FOAM AND ANTISTATIC COMPOSITION | — | 1993-06-23 | — | — | EP | disclosed |
| EP-0536147-A1 | ANTISTATIC POLYOLEFIN FOAMS AND FILMS AND METHOD OF MAKING THE FOAM AND ANTISTATIC COMPOSITION. | DOW CHEMICAL CO (US) | 1993-04-14 | — | — | EP | disclosed |
| US-5112528-A | Quaternary Ammonium Salt, Partial Ester of Polyol with Fatty Acid | THE DOW CHEMICAL COMPANY (US) | 1992-05-12 | — | — | US | disclosed |
| US-5110841-A | Synergistic mixture of quaternary ammonium compound and ester of fatty acid with polyol | THE DOW CHEMICAL COMPANY (US) | 1992-05-05 | — | — | US | disclosed |
| WO-1992000346-A1 | ANTISTATIC POLYOLEFIN FOAMS AND FILMS AND METHOD OF MAKING THE FOAM AND ANTISTATIC COMPOSITION | THE DOW CHEMICAL COMPANY (US) | 1992-01-09 | — | — | WO | disclosed |
| US-5071884-A | Mixing plastified polyolefin with partial ester of fatty acid and polyol, blowing agent, quaternary ammonium salt; foaming | THE DOW CHEMICAL COMPANY (US) | 1991-12-10 | — | — | US | disclosed |
| US-4605684-A | QUATERNARY AMMONIUM COMPOUND AND PLASTICIZER ADDED BEFORE FOAMING; FLEXIBILITY | GLENFED FINANCIAL CORPORATION | 1986-08-12 | — | — | US | disclosed |