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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.40 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.40 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
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 SCHEMBL3252964 | 0.89 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1NPC1RAB9A | |
| Water SCHEMBL28870924 | 0.89 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1NPC1RAB9A | |
| Bromide SCHEMBL20591841 | 0.89 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1NPC1RAB9A | |
| Bromide SCHEMBL2900871 | 0.89 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1NPC1RAB9A | |
| SCHEMBL364 | 0.87 | — | — | |
| SCHEMBL29635663 | 0.87 | — | — | |
| SCHEMBL6260224 | 0.85 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL9114387 | 0.85 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL3529241 | 0.85 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL31308676 | 0.85 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1NPC1RAB9A |
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-0301456-B1 | Novel (aryl or heteroaromatic methyl)-2,2'-BI-1H-imidazoles | MERRELL DOW PHARMA (US) | 1994-02-02 | — | — | EP | disclosed |
| US-5017591-A | Enzyme inhibitors | MERRELL DOW PHARMACEUTICALS (US) | 1991-05-21 | — | — | US | disclosed |
| US-4929744-A | DEHYDROHALOGENATION, SODIUM HYDROXIDE BASE, ETHANOL SOLVENT | MERRELL DOW PHARMACEUTICALS (US) | 1990-05-29 | — | — | US | disclosed |
| US-4839375-A | (Aryl or heteroaromatic methyl)-2,2'-bi-1H-imidazoles and their use as anti-hypertensive agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-06-13 | — | — | US | disclosed |
| EP-0301456-A2 | Novel (aryl or heteroaromatic methyl)-2,2'-BI-1H-imidazoles | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-02-01 | — | — | EP | disclosed |