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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.45 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28974248 | 1.00 | IGF1R (0.47) | IGF1RALOX15BCHEACHEAPP | |
| Bromide SCHEMBL29040474 | 0.86 | IGF1R (0.63) | IGF1RALOX15ACHEADRB2ADORA3 | |
| Bromide SCHEMBL30457991 | 0.86 | IGF1R (0.63) | IGF1RALOX15ACHEADRB2ADORA3 | |
| Bromide SCHEMBL20658964 | 0.76 | CHRNA7 (0.49) | CHRNA7 | |
| SCHEMBL3807970 | 0.75 | ALOX15 (0.64) | IGF1RALOX15APPADRB2DRD1 | |
| SCHEMBL7271885 | 0.74 | ADRB2 (0.80) | IGF1RALOX15BCHEACHEAPP | |
| Bromide SCHEMBL28974249 | 0.73 | CHRNA7 (0.40) | CHRNA7 | |
| Bromide SCHEMBL1518997 | 0.73 | CHRNA7 (0.49) | HRH3CHRNA7 | |
| Bromide SCHEMBL1244421 | 0.73 | CHRNA7 (0.49) | HRH3CHRNA7 | |
| SCHEMBL10933444 | 0.73 | ALOX15 (0.63) | IGF1RALOX15ACHEADRB2DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115850334-A | Triphenylphosphonium-hydroxytyrosol, synthesis method thereof and application thereof in preparing drugs for inhibiting cancer cell proliferation | 西安交通大学 | 2023-03-28 | — | — | CN | disclosed |