Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 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 | |
|---|---|---|---|---|
| SCHEMBL273021 | 0.97 | SLC6A4 (0.51) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| Hydrochloric Acid SCHEMBL4146327 | 0.95 | SLC6A4 (0.50) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| Iodide SCHEMBL27609232 | 0.95 | SLC6A4 (0.50) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| Cyanamide SCHEMBL4953093 | 0.85 | SLC6A4 (0.44) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| Acetic Acid SCHEMBL20561153 | 0.85 | SLC6A4 (0.44) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| SCHEMBL13531768 | 0.84 | LMNA (0.67) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| SCHEMBL13384870 | 0.83 | SLC6A4 (0.41) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| SCHEMBL24069489 | 0.81 | SLC6A4 (0.44) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| SCHEMBL24069500 | 0.81 | SLC6A4 (0.44) | SLC6A4LMNACNR1ADRA1ATDP1 | |
| SCHEMBL17472295 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3352293-A1 | QUATERNARY AMMONIUM HALIDES WITH ETHER FUNCTIONAL GROUPS FOR USE AS BATTERY ELECTROLYTES | Albemarle Corporation (US) | 2018-07-25 | — | — | EP | disclosed |
| US-20170237129-A1 | Quaternary Ammonium Halides With Ether Functional Groups For Use As Battery Electrolytes | ALBEMARLE AMENDMENTS, LLC | 2017-08-17 | — | — | US | disclosed |
| EP-3195398-A1 | QUATERNARY AMMONIUM HALIDES WITH ETHER FUNCTIONAL GROUPS FOR USE AS BATTERY ELECTROLYTES | Albemarle Corporation (US) | 2017-07-26 | — | — | EP | disclosed |
| US-20170162898-A1 | Quaternary Ammonium Halides With Ether Functional Groups For Use As Battery Electrolytes | ALBEMARLE AMENDMENTS, LLC | 2017-06-08 | — | — | US | disclosed |
| WO-2016028408-A1 | QUATERNARY AMMONIUM HALIDES WITH ETHER FUNCTIONAL GROUPS FOR USE AS BATTERY ELECTROLYTES | ALBEMARLE CORPORATION (US) | 2016-02-25 | — | — | WO | disclosed |