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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL530289 | 0.97 | MEN1 (0.39) | MEN1LMNAKMT2AALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL6534748 | 0.94 | MEN1 (0.37) | MEN1LMNAKMT2AALDH1A1TSHR | |
| SCHEMBL6269379 | 0.84 | MEN1 (0.30) | MEN1LMNAKMT2A | |
| Bromide SCHEMBL15820403 | 0.83 | MEN1 (0.44) | MEN1LMNAKMT2AALDH1A1TSHR | |
| SCHEMBL148930 | 0.79 | MEN1 (0.47) | MEN1LMNAKMT2AALDH1A1TSHR | |
| SCHEMBL817851 | 0.79 | LMNA (0.35) | MEN1LMNAKMT2AALDH1A1TSHR | |
| Water SCHEMBL1204724 | 0.76 | MEN1 (0.44) | MEN1LMNAKMT2AALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL6660435 | 0.76 | MEN1 (0.44) | MEN1LMNAKMT2AALDH1A1TSHR | |
| SCHEMBL818369 | 0.75 | ALDH1A1 (0.41) | MEN1LMNAKMT2AALDH1A1TSHR | |
| SCHEMBL4610249 | 0.75 | KDM4E (0.41) | ALDH1A1TSHR |
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-3292106-A1 | PROCESS FOR THE PREPARATION OF AMPHIPHILIC IMIDAZOLINIUM COMPOUNDS | Bayer Animal Health GmbH (DE) | 2018-03-14 | — | — | EP | disclosed |
| WO-2016177693-A1 | PROCESS FOR THE PREPARATION OF AMPHIPHILIC IMIDAZOLINIUM COMPOUNDS | BAYER ANIMAL HEALTH GMBH (DE) | 2016-11-10 | — | — | WO | disclosed |