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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 7/20 | 0.35 |
| ▸ | RAB9A | P51151 | 7/20 | 0.35 |
| ▸ | HTT | P42858 | 6/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | GALR3 | O60755 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4066563 | 0.98 | GNAI3 (0.38) | ALDH1A1CYP1A2CYP2D6CYP2C19GNAI3 | |
| SCHEMBL4062055 | 0.98 | GNAI3 (0.38) | ALDH1A1CYP1A2CYP2D6CYP2C19GNAI3 | |
| SCHEMBL4234739 | 0.98 | GNAI3 (0.38) | ALDH1A1CYP1A2CYP2D6CYP2C19GNAI3 | |
| SCHEMBL411687 | 0.98 | GNAI3 (0.38) | ALDH1A1CYP1A2CYP2D6CYP2C19GNAI3 | |
| SCHEMBL4058237 | 0.98 | GNAI3 (0.38) | ALDH1A1CYP1A2CYP2D6CYP2C19GNAI3 | |
| SCHEMBL413469 | 0.90 | KMT2A (0.38) | ALDH1A1MAPTGAATHRBPOLB | |
| SCHEMBL29220054 | 0.84 | MEN1 (0.35) | ALDH1A1MAPTGAATHRBMEN1 | |
| SCHEMBL486569 | 0.81 | — | — | |
| SCHEMBL13227911 | 0.72 | GNAI3 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19GNAI3 | |
| Iodide SCHEMBL3793365 | 0.71 | GNAI3 (0.36) | ALDH1A1CYP1A2CYP2D6CYP2C19GNAI3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4150967-A | QUATERNARY IMIDAZOLIUM COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-04-24 | — | — | US | disclosed |