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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.31 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19678032 | 0.98 | ALDH1A1 (0.52) | ALDH1A1TSHRTRPA1TDP1CYP3A4 | |
| Benzyl Bromide SCHEMBL1043932 | 0.85 | TSHR (0.70) | ALDH1A1TSHRTRPA1TDP1CYP3A4 | |
| SCHEMBL4410065 | 0.85 | TRPA1 (0.46) | ALDH1A1TSHRTRPA1TDP1CYP3A4 | |
| SCHEMBL2646995 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TSHRTRPA1TDP1CYP3A4 | |
| SCHEMBL5972931 | 0.83 | TRPA1 (0.45) | ALDH1A1TSHRTRPA1TDP1CYP3A4 | |
| Bromide SCHEMBL5007355 | 0.82 | MAOA (0.50) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL10982048 | 0.79 | CYP3A4 (0.52) | TDP1CYP3A4ESR1ESR2LOXL2 | |
| SCHEMBL2647549 | 0.79 | MEN1 (0.52) | ALDH1A1TSHRTRPA1CYP3A4CYP1A2 | |
| SCHEMBL10584452 | 0.79 | MEP1A (0.43) | ALDH1A1TSHRTRPA1TDP1CYP3A4 | |
| SCHEMBL5398999 | 0.79 | CALM1 (0.51) | TSHRCALM1CYP1A2MAOB |
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-20140249102-A1 | Topical Applicator Composition and Process for Treatment of Radiologically Contaminated Dermal Injuries | BATTELLE MEMORIAL INSTITUTE (US) | 2014-09-04 | — | — | US | disclosed |
| WO-2012030429-A1 | TOPICAL APPLICATOR COMPOSITION AND PROCESS FOR REMOVAL OF RADIONUCLIDES FROM RADIOLOGICALLY CONTAMINATED DERMAL SURFACES | BATTELLE MEMORIAL INSTITUTE (US) | 2012-03-08 | — | — | WO | disclosed |