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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 11/20 | 0.56 |
| ▸ | HTT | P42858 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | SLC11A2 | P49281 | 2/20 | 0.53 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.44 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.44 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.44 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.44 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.44 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.44 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.44 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3690764 | 0.98 | HTT (0.56) | IDO1HTTHPGDTAAR1LMNA | |
| Bromide SCHEMBL4445136 | 0.80 | HTT (0.62) | IDO1HTTHPGDTAAR1LMNA | |
| Bromide SCHEMBL2810146 | 0.79 | IDO1 (0.71) | IDO1HTTHPGDTAAR1LMNA | |
| SCHEMBL3690551 | 0.77 | HTT (0.65) | IDO1HTTHPGDTAAR1LMNA | |
| SCHEMBL2812696 | 0.77 | IDO1 (0.74) | IDO1HTTHPGDTAAR1LMNA | |
| Bromide SCHEMBL3997398 | 0.77 | HTT (0.59) | IDO1HTTHPGDTAAR1LMNA | |
| SCHEMBL849545 | 0.76 | IDO1 (0.57) | IDO1HTTHPGDTAAR1LMNA | |
| Hydrochloric Acid SCHEMBL22263112 | 0.75 | IDO1 (0.75) | IDO1HTTHPGDTAAR1LMNA | |
| Bromide SCHEMBL4018130 | 0.75 | HTT (0.57) | IDO1HTTHPGDTAAR1LMNA | |
| Bromide SCHEMBL2813811 | 0.75 | HTT (0.67) | IDO1HTTHPGDTAAR1LMNA |
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 |