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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23926453 | 0.98 | SMN1; SMN2 (0.35) | SMN1; SMN2HIF1AEPAS1 | |
| Bromide SCHEMBL20604280 | 0.85 | CHRNA7 (0.34) | — | |
| SCHEMBL23926449 | 0.83 | CHRNA7 (0.35) | — | |
| Water SCHEMBL1702603 | 0.81 | SMN1; SMN2 (0.44) | SMN1; SMN2HIF1A | |
| Bromide SCHEMBL20604499 | 0.76 | SMN1; SMN2 (0.41) | SMN1; SMN2 | |
| SCHEMBL23926429 | 0.74 | SMN1; SMN2 (0.39) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL20604500 | 0.73 | SMN1; SMN2 (0.38) | SMN1; SMN2 | |
| SCHEMBL4907261 | 0.71 | SMN1; SMN2 (0.36) | SMN1; SMN2 | |
| SCHEMBL16883445 | 0.71 | ALDH1A1 (0.34) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30804526 | 0.69 | SMN1; SMN2 (0.35) | SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3423441-B1 | IODINATED ANALOGS OF CHOLINE, METHODS OF PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS | UNIV PALACKEHO (CZ) | 2021-10-27 | — | — | EP | claimed |
| EP-3423441-A1 | IODINATED ANALOGS OF CHOLINE, METHODS OF PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS | Univerzita Palackého V Olomouchi (CZ) | 2019-01-09 | — | — | EP | claimed |
| EP-3423441-B1 | IODINATED ANALOGS OF CHOLINE, METHODS OF PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS | UNIV PALACKEHO (CZ) | 2021-10-27 | — | — | EP | disclosed |
| EP-3423441-A1 | IODINATED ANALOGS OF CHOLINE, METHODS OF PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS | Univerzita Palackého V Olomouchi (CZ) | 2019-01-09 | — | — | EP | disclosed |