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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.99 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.99 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.99 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.99 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.99 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.99 |
| ▸ | MEN1 | O00255 | 1/20 | 0.99 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.99 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.99 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.99 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.99 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.99 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.99 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL20584476 | 0.99 | CHRM2 (1.00) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL29470062 | 0.99 | CHRM2 (1.00) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL29462354 | 0.99 | CHRM2 (1.00) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL9824222 | 0.99 | CHRM2 (1.00) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| Hydrochloric Acid SCHEMBL9824802 | 0.99 | CHRM2 (0.99) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| Hydrochloric Acid SCHEMBL9824253 | 0.98 | CHRM2 (0.97) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL10570987 | 0.97 | CHRM2 (0.96) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL9824271 | 0.97 | CHRM2 (0.96) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| Sulfuric Acid SCHEMBL9824939 | 0.96 | CHRM2 (0.94) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL8880858 | 0.96 | CHRM2 (0.94) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0273239-B1 | CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| US-4873236-A | BRADYCARDIAL AGENTS | DR. KARL THOMAE GMBH (DE) | 1989-10-10 | — | — | US | disclosed |
| EP-0273239-A1 | Condensed diazepinones, processes for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |