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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 11/20 | 0.59 |
| ▸ | CCKAR | P32238 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 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 SCHEMBL9526214 | 1.00 | CCKBR (0.59) | CCKBRCCKARCHRM1 | |
| SCHEMBL28297189 | 0.84 | CCKBR (0.60) | CCKBRCCKARCHRM1 | |
| SCHEMBL28295466 | 0.76 | CCKBR (0.49) | CCKBRCHRM1 | |
| SCHEMBL9525031 | 0.74 | CCKBR (1.00) | CCKBRCCKAR | |
| SCHEMBL9526253 | 0.72 | CCKBR (0.63) | CCKBRCCKAR | |
| SCHEMBL9526239 | 0.72 | CCKBR (0.63) | CCKBRCCKAR | |
| SCHEMBL9525572 | 0.71 | CCKBR (1.00) | CCKBRCCKAR | |
| SCHEMBL9525581 | 0.71 | CCKBR (1.00) | CCKBRCCKAR | |
| SCHEMBL9524932 | 0.71 | CCKBR (1.00) | CCKBRCCKAR | |
| SCHEMBL28297206 | 0.70 | CCKBR (0.48) | CCKBRCHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0167919-B1 | BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1993-05-05 | — | — | EP | disclosed |
| US-5004741-A | Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals | MERCK & CO., INC. (US) | 1991-04-02 | — | — | US | disclosed |
| US-4820834-A | Benzodiazepine analogs | MERCK & CO., INC. (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0284256-A1 | Benzodiazepine analogs | MERCK & CO. INC. (US) | 1988-09-28 | — | — | EP | disclosed |
| EP-0167919-A2 | Benzodiazepine derivatives and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1986-01-15 | — | — | EP | disclosed |