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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL29201371 | 0.80 | SLC6A2 (0.40) | SLC6A2TAAR1LMNACYP2D6CYP1A2 | |
| Iodide SCHEMBL29201398 | 0.77 | SLC6A2 (0.40) | SLC6A2TAAR1LMNACYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL29201384 | 0.77 | SLC6A2 (0.40) | SLC6A2TAAR1LMNACYP2D6CYP1A2 | |
| Bromide SCHEMBL3932385 | 0.77 | CYP1A2 (0.37) | SLC6A2TAAR1LMNACYP2D6CYP1A2 | |
| Bromide SCHEMBL29201434 | 0.68 | ALDH1A1 (0.35) | TAAR1 | |
| SCHEMBL9810146 | 0.67 | SLC6A2 (0.50) | SLC6A2TAAR1LMNACYP2D6CYP1A2 | |
| Iodide SCHEMBL29201303 | 0.65 | ALDH1A1 (0.35) | TAAR1 | |
| Hydrochloric Acid SCHEMBL29201338 | 0.65 | ALDH1A1 (0.35) | TAAR1 | |
| SCHEMBL4528233 | 0.65 | SLC6A2 (0.52) | SLC6A2TAAR1LMNACYP2D6CYP1A2 | |
| SCHEMBL10348475 | 0.62 | SLC6A2 (0.59) | SLC6A2TAAR1LMNACYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016004324-A1 | APTAMER CONJUGATES WITH N-HETEROCYCLIC CARBENE METAL COMPLEXES FOR TARGETED DRUG DELIVERY | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2016-01-07 | — | — | WO | disclosed |