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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | IDH2 | P48735 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL20184810 | 0.81 | TSHR (0.48) | TSHRMAPK1CES2MGLLHTR2A | |
| SCHEMBL40035 | 0.77 | TSHR (0.48) | TSHRMAPK1CES2MGLLHTR2A | |
| SCHEMBL20184786 | 0.77 | TSHR (0.48) | TSHRMAPK1CES2MGLLHTR2A | |
| Iodide SCHEMBL20184829 | 0.77 | TSHR (0.48) | TSHRMAPK1CES2MGLLHTR2A | |
| SCHEMBL538930 | 0.77 | TSHR (0.48) | TSHRMAPK1CES2MGLLHTR2A | |
| Hydrochloric Acid SCHEMBL20184802 | 0.77 | TSHR (0.48) | TSHRMAPK1CES2MGLLHTR2A | |
| Nitrogen SCHEMBL26667006 | 0.74 | TSHR (0.61) | TSHRMAPK1CES2MGLLHTR2A | |
| SCHEMBL62723 | 0.74 | TSHR (0.67) | TSHRMAPK1CES2MGLLHTR2A | |
| Methylamine SCHEMBL27581718 | 0.72 | TSHR (0.65) | TSHRMAPK1CES2MGLLHTR2A | |
| Methyl Alcohol SCHEMBL9419583 | 0.72 | TSHR (0.58) | TSHRMAPK1CES2MGLLHTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2006265133-A | METHOD FOR PRODUCING 4-METHYL-3-TRIFLUOROMETHYLBENZOIC ACID | CENTRAL GLASS CO LTD | 2006-10-05 | — | — | JP | disclosed |