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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 8/20 | 0.63 |
| ▸ | BCHE | P06276 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PPM1A | P35813 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13310844 | 0.99 | ACHE (0.64) | ACHEBCHECYP1A2CYP2A6NPC1 | |
| Bromide SCHEMBL2332371 | 0.84 | KDM4E (0.53) | ACHEBCHELMNAKMT2AMEN1 | |
| Bromide SCHEMBL2341067 | 0.82 | ACHE (0.50) | ACHEBCHEKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL13311556 | 0.82 | KDM4E (0.51) | ACHEBCHECYP2A6NPC1RAB9A | |
| SCHEMBL19422741 | 0.81 | ACHE (0.67) | ACHEBCHENPC1RAB9ALMNA | |
| SCHEMBL14326007 | 0.81 | ACHE (0.67) | ACHEBCHECYP1A2CYP2A6NPC1 | |
| Bromide SCHEMBL2340311 | 0.79 | ACHE (0.97) | ACHEBCHECYP1A2CYP2A6NPC1 | |
| SCHEMBL22034130 | 0.74 | ACHE (0.68) | ACHEBCHECYP1A2CYP2A6NPC1 | |
| Iodide SCHEMBL10815828 | 0.73 | ACHE (0.66) | ACHEBCHECYP1A2CYP2A6NPC1 | |
| Iodide SCHEMBL222931 | 0.73 | ACHE (0.69) | ACHEBCHECYP1A2CYP2A6NPC1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8569502-B2 | Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids | Geddes, Chris (US) | 2013-10-29 | — | — | US | disclosed |
| US-20130210158-A1 | QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS | GEDDES, CHRIS, DR. | 2013-08-15 | — | — | US | disclosed |
| US-8338602-B2 | Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids | UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) | 2012-12-25 | — | — | US | disclosed |
| EP-1644330-B1 | QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS | UNIV MARYLAND (US) | 2011-08-17 | — | — | EP | disclosed |
| US-20100297016-A1 | QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS | GEDDES, CHRIS, DR. | 2010-11-25 | — | — | US | disclosed |
| US-7718804-B2 | Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids | UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) | 2010-05-18 | — | — | US | disclosed |
| EP-1644330-A4 | QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS | UNIV MARYLAND BIOTECH INST (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20070020182-A1 | Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids | GEDDES, CHRIS, DR. | 2007-01-25 | — | — | US | disclosed |
| EP-1671118-A2 | CYANIDE SENSING COMPOUNDS AND USES THEREOF | University of Maryland Biotechnology Institute (US) | 2006-06-21 | — | — | EP | disclosed |
| EP-1644330-A2 | QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS | UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005029033-A2 | CYANIDE SENSING COMPOUNDS AND USES THEREOF | UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) | 2005-03-31 | — | — | WO | disclosed |
| WO-2005000109-A2 | QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS | UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) | 2005-01-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100297016-A1 | QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS | SLC5A1, NISCH, SLC5A2 | ACHE 1414/4885BCHE 258/4885CYP1A2 4089/4885 |
| US-20130210158-A1 | QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS | SLC5A1, NISCH, SLC5A2 | ACHE 1048/4885BCHE 357/4885CYP1A2 4048/4885 |
| US-20070020182-A1 | Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids | SLC5A1, NISCH, SLC5A2 | ACHE 1048/4885BCHE 357/4885CYP1A2 4048/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.