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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.36 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.31 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.31 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1951099 | 0.97 | CYP3A4 (0.58) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL9387233 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL29507672 | 0.83 | CA1 (0.52) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL4704877 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL899027 | 0.83 | CA1 (0.52) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL29674856 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL1033015 | 0.79 | CD44 (0.41) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL15286761 | 0.79 | CA1 (0.48) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL2720754 | 0.79 | CA1 (0.50) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL29778861 | 0.79 | CA1 (0.50) | ALDH1A1CYP3A4CA1CA2CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4511720-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1985-04-16 | — | — | US | disclosed |
| US-4355033-A | TREATMENT OF HYPERTENSION | HOFFMAN-LA ROCHE INC. (US) | 1982-10-19 | — | — | US | disclosed |
| EP-0002010-B1 | DERIVATIVES OF 2-IMINO-IMIDAZOLIDINE, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-07-14 | — | — | EP | disclosed |
| US-4244957-A | HYPOTENSIVE AGENTS | HOFFMAN-LA ROCHE INC. (US) | 1981-01-13 | — | — | US | disclosed |
| EP-0002010-A1 | Derivatives of 2-imino-imidazolidine, processes for their preparation, pharmaceutical compositions containing them and intermediates | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-05-30 | — | — | EP | disclosed |