Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 6/20 | 0.64 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.50 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16418454 | 0.98 | ESR1 (0.66) | ESR1CHRNB4CHRNA3CHRNA7CHRNA10 | |
| SCHEMBL18135626 | 0.91 | ESR1 (0.59) | ESR1CHRNB4CHRNA3CHRNA7CHRNA10 | |
| SCHEMBL16800108 | 0.86 | ESR1 (0.57) | ESR1ESR2MAPTNR1I2 | |
| Bromide SCHEMBL69311 | 0.83 | CHRNA7 (0.62) | ESR1CHRNB4CHRNA3CHRNA7CHRNA10 | |
| SCHEMBL80066 | 0.81 | CHRNA7 (0.65) | ESR1CHRNB4CHRNA3CHRNA7CHRNA10 | |
| SCHEMBL3152156 | 0.81 | PKM (0.65) | ESR1L3MBTL1 | |
| SCHEMBL3152149 | 0.79 | CA1 (0.52) | ESR1CHRNB4CHRNA3CHRNA7CHRNA10 | |
| Bromide SCHEMBL29089222 | 0.79 | ESR1 (0.61) | ESR1NR1I2 | |
| SCHEMBL23671979 | 0.79 | ESR1 (1.00) | ESR1CYP19A1ESR2MAPTNR1I2 | |
| SCHEMBL21496962 | 0.79 | ESR1 (1.00) | ESR1CYP19A1ESR2MAPTNR1I2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10113968-B2 | Specific detection and quantification of cardiolipin and isolated mitochondria by positively charged AIE fluorogens and method of manufacturing thereof | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2018-10-30 | — | — | US | disclosed |
| US-20160299078-A1 | Specific Detection and Quantification of Cardiolipin and Isolated Mitochondria by Positively Charged AIE Fluorogens and Method of Manufacturing Thereof | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-10-13 | — | — | US | disclosed |
| US-9279806-B2 | Water-soluble AIE luminogens for monitoring and retardation of fibrillation of amyloid proteins | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-03-08 | — | — | US | disclosed |
| US-20150031607-A1 | WATER-SOLUBLE AIE LUMINOGENS FOR MONITORING AND RETARDATION OF FIBRILLATION OF AMYLOID PROTEINS | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2015-01-29 | — | — | US | disclosed |