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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.56 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.56 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.56 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.56 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.56 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.83 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | APAF1 | O14727 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | XBP1 | P17861 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | RAD52 | P43351 | 3/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9028799 | 0.97 | KDM4E (0.77) | KDM4EHSP90AA1LMNAHTTSMN1; SMN2 | |
| SCHEMBL29099370 | 0.91 | KDM4E (0.72) | KDM4EHSP90AA1LMNAHTTSMN1; SMN2 | |
| SCHEMBL21456850 | 0.83 | KDM4E (0.66) | KDM4EHSP90AA1LMNAHTTSMN1; SMN2 | |
| Bromide SCHEMBL2761003 | 0.82 | HTT (0.63) | HSP90AA1LMNAHTTSMN1; SMN2RAD52 | |
| Bromide SCHEMBL9357962 | 0.82 | HTT (0.63) | HSP90AA1LMNAHTTSMN1; SMN2RAD52 | |
| Bromide SCHEMBL23004428 | 0.82 | HTT (0.63) | HSP90AA1LMNAHTTSMN1; SMN2RAD52 | |
| Bromide SCHEMBL9693481 | 0.82 | HTT (0.63) | HSP90AA1LMNAHTTSMN1; SMN2RAD52 | |
| Bromide SCHEMBL2761290 | 0.82 | HTT (0.63) | HSP90AA1LMNAHTTSMN1; SMN2RAD52 | |
| Bromide SCHEMBL23004362 | 0.82 | HTT (0.63) | HSP90AA1LMNAHTTSMN1; SMN2RAD52 | |
| SCHEMBL2861428 | 0.80 | HTT (0.66) | HSP90AA1LMNAHTTSMN1; SMN2RAD52 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-56139462-A | — | — | None | — | — | JP | disclosed |
| EP-0277270-B1 | N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions | PUETTER MEDICE CHEM PHARM (DE) | 1996-12-27 | — | — | EP | disclosed |
| JP-S56139462-A | OXYPYRIDINE DERIVATIVE AND SURFACE ACTIVE AGENT COMPRISING IT | AGENCY OF IND SCIENCE & TECHNOL | 1981-10-30 | — | — | JP | disclosed |