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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7658326 | 0.94 | POLB (0.35) | SMN1; SMN2POLBMAPK1TRPV1 | |
| Bromide SCHEMBL8399536 | 0.87 | PTGS1 (0.37) | POLBTRPV1 | |
| Bromide SCHEMBL8399538 | 0.87 | PTGS1 (0.37) | POLBTRPV1 | |
| Bromide SCHEMBL8398235 | 0.86 | POLB (0.36) | SMN1; SMN2POLBMAPK1SIGMAR1L3MBTL1 | |
| Bromide SCHEMBL8398237 | 0.86 | POLB (0.36) | SMN1; SMN2POLBMAPK1SIGMAR1L3MBTL1 | |
| Bromide SCHEMBL7656451 | 0.84 | CHRM3 (0.43) | SMN1; SMN2MAPK1 | |
| Hydrochloric Acid SCHEMBL8396891 | 0.84 | POLB (0.36) | SMN1; SMN2POLBMAPK1SIGMAR1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8396893 | 0.84 | POLB (0.36) | SMN1; SMN2POLBMAPK1SIGMAR1L3MBTL1 | |
| Bromide SCHEMBL8396030 | 0.80 | GRIN2D (0.35) | SMN1; SMN2POLBSIGMAR1KMT2AMEN1 | |
| Bromide SCHEMBL8396028 | 0.80 | GRIN2D (0.35) | SMN1; SMN2POLBSIGMAR1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5990124-A | ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE | GYERMEK LASZLO (US) | 1999-11-23 | — | — | US | claimed |
| US-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |