Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL585527 | 0.96 | KDM4E (0.41) | KDM4ETDP1MMP3MAPTNPC1 | |
| SCHEMBL4765029 | 0.89 | KDM4E (0.37) | KDM4ETDP1MMP3MAPTNPC1 | |
| SCHEMBL1050898 | 0.81 | ACHE (0.48) | KDM4ETDP1MMP3ENPP2ACHE | |
| SCHEMBL8658364 | 0.81 | KDM4E (0.48) | KDM4ETDP1MMP3MAPTNPC1 | |
| SCHEMBL502201 | 0.81 | KDM4E (0.48) | KDM4ETDP1MMP3MAPTNPC1 | |
| SCHEMBL25170271 | 0.72 | CA12 (0.48) | KDM4ETDP1MMP3HCAR1ENPP2 | |
| SCHEMBL1072135 | 0.72 | KDM4E (0.41) | KDM4ETDP1MAPTNPC1LMNA | |
| SCHEMBL4433177 | 0.72 | KDM4E (0.41) | KDM4ETDP1MMP3MAPTNPC1 | |
| SCHEMBL334575 | 0.72 | KDM4E (0.41) | KDM4ETDP1MMP3MAPTNPC1 | |
| SCHEMBL7714628 | 0.72 | ALDH1A1 (0.48) | KDM4ETDP1MMP3MAPTHCAR1 |
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-1963259-A2 | SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE | AstraZeneca AB (SE) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007068894-A2 | SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE | ASTRAZENECA AB (SE) | 2007-06-21 | — | — | WO | disclosed |