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 | |
|---|---|---|---|---|
| ▸ | SLC11A2 | P49281 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 8/20 | 0.50 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.48 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.48 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.48 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.48 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.48 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.48 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3690053 | 0.98 | SLC11A2 (0.64) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| SCHEMBL13007575 | 0.93 | SLC11A2 (0.64) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| SCHEMBL3687158 | 0.91 | SLC11A2 (0.68) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL4008750 | 0.89 | SLC11A2 (0.66) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| Bromide SCHEMBL2810291 | 0.88 | SLC11A2 (0.70) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| SCHEMBL2807819 | 0.86 | SLC11A2 (0.73) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| SCHEMBL3687900 | 0.78 | SLC11A2 (0.63) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL2811607 | 0.77 | SLC11A2 (0.61) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| SCHEMBL3688145 | 0.77 | SLC11A2 (0.61) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 | |
| SCHEMBL3688121 | 0.77 | SLC11A2 (1.00) | SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2068855-A2 | AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008151288-A2 | AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2008-12-11 | — | — | WO | disclosed |