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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | HRH1 | P35367 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 SCHEMBL10595079 | 0.79 | CHRNA7 (0.56) | MEN1KMT2ACHRNA7KDM4EALDH1A1 | |
| SCHEMBL674996 | 0.76 | CHRNA7 (0.59) | MEN1KMT2ACHRNA7KDM4EALDH1A1 | |
| Bromide SCHEMBL11066191 | 0.76 | CHRNA7 (0.50) | MEN1KMT2ACYP2C9MAPTCHRNA7 | |
| SCHEMBL6771883 | 0.76 | ESR1 (0.48) | MEN1KMT2ACYP2C9MAPTCHRNA7 | |
| SCHEMBL11708265 | 0.74 | KMT2A (0.49) | MEN1KMT2ACYP2C9MAPTSRC | |
| Hydrochloric Acid SCHEMBL11332719 | 0.74 | CHRNA7 (0.56) | MEN1KMT2ACYP2C9MAPTCHRNA7 | |
| Water SCHEMBL28355612 | 0.74 | CHRNA7 (0.56) | MEN1KMT2ACHRNA7KDM4EALDH1A1 | |
| SCHEMBL8318669 | 0.71 | TYR (0.46) | MEN1KMT2ACYP2C9MAPTKDM4E | |
| SCHEMBL15239918 | 0.70 | MEN1 (0.41) | MEN1KMT2ACYP2C9MAPTCHRNA7 | |
| SCHEMBL16632702 | 0.70 | SLC6A2 (0.41) | KMT2ACYP2C9SRCALDH1A1HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4446123-A | QUATERNARY AMMONIUM, PHOSPHONIUM, OR ARSONIUM HALIDE | HAHNEMANN UNIVERSITY (US) | 1984-05-01 | — | — | US | claimed |
| US-4446123-A | QUATERNARY AMMONIUM, PHOSPHONIUM, OR ARSONIUM HALIDE | HAHNEMANN UNIVERSITY (US) | 1984-05-01 | — | — | US | disclosed |