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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 11/20 | 0.51 |
| ▸ | ARG1 | P05089 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | MASP2 | O00187 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 4/20 | 0.38 |
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 SCHEMBL11268246 | 1.00 | GRIK1 (0.51) | GRIK1ARG1HRH3MASP2F2 | |
| SCHEMBL11235178 | 0.98 | GRIK1 (0.52) | GRIK1ARG1HRH3MASP2F2 | |
| SCHEMBL3183754 | 0.98 | GRIK1 (0.52) | GRIK1ARG1HRH3MASP2F2 | |
| SCHEMBL30471740 | 0.85 | F2 (0.41) | GRIK1HRH3MASP2F2CYP2C19 | |
| SCHEMBL19292680 | 0.84 | HRH3 (0.54) | GRIK1ARG1HRH3MASP2F2 | |
| SCHEMBL1706921 | 0.84 | HRH3 (0.54) | GRIK1ARG1HRH3MASP2F2 | |
| SCHEMBL199034 | 0.84 | HRH3 (0.54) | GRIK1ARG1HRH3MASP2F2 | |
| SCHEMBL199035 | 0.84 | HRH3 (0.54) | GRIK1ARG1HRH3MASP2F2 | |
| SCHEMBL22536533 | 0.84 | HRH3 (0.54) | GRIK1ARG1HRH3MASP2F2 | |
| SCHEMBL931868 | 0.84 | HRH3 (0.54) | GRIK1ARG1HRH3MASP2F2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0049589-A1 | Carboxyalkanoyl and hydroxycarbamoylalkanoyl derivatives of substituted prolines | E.R. Squibb & Sons, Inc. (US) | 1982-04-14 | — | — | EP | disclosed |
| US-4311705-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-01-19 | — | — | US | disclosed |