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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GGPS1 | O95749 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 SCHEMBL2178786 | 0.83 | TP53 (0.36) | — | |
| SCHEMBL5305643 | 0.73 | HTR2A (0.42) | GGPS1SIGMAR1EPHX2 | |
| SCHEMBL5296103 | 0.72 | HTR2A (0.48) | GGPS1SIGMAR1 | |
| SCHEMBL5819137 | 0.71 | HTR2A (0.50) | GGPS1SIGMAR1 | |
| SCHEMBL5283510 | 0.71 | HTR2A (0.50) | GGPS1SIGMAR1 | |
| SCHEMBL5292985 | 0.71 | HTR2A (0.50) | GGPS1SIGMAR1 | |
| SCHEMBL5298230 | 0.71 | HTR2A (0.50) | GGPS1SIGMAR1 | |
| SCHEMBL5294184 | 0.71 | HTR2A (0.50) | GGPS1SIGMAR1 | |
| SCHEMBL5288092 | 0.71 | HTR2A (0.50) | GGPS1SIGMAR1 | |
| SCHEMBL5290347 | 0.71 | HTR2A (0.50) | GGPS1SIGMAR1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10071982-B2 | Method of treating neuropathic pain | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2018-09-11 | — | — | US | claimed |
| US-20160340335-A9 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF UTAH (US) | 2016-11-24 | — | — | US | claimed |
| US-20160279119-A9 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-09-29 | — | — | US | claimed |
| US-20140011836-A1 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-01-09 | — | — | US | claimed |
| US-8178678-B2 | Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2012-05-15 | — | — | US | claimed |
| US-20110166177-A1 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-07-07 | — | — | US | claimed |
| US-20100069432-A1 | Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2010-03-18 | — | — | US | claimed |
| US-10071982-B2 | Method of treating neuropathic pain | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2018-09-11 | — | — | US | disclosed |
| US-20160340335-A9 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF UTAH (US) | 2016-11-24 | — | — | US | disclosed |
| US-9499518-B2 | Bis-quaternary ammonium salts as pain modulating agents | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-11-22 | — | — | US | disclosed |
| US-20160279119-A9 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-09-29 | — | — | US | disclosed |
| US-20140011836-A1 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-01-09 | — | — | US | disclosed |
| US-8178678-B2 | Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2012-05-15 | — | — | US | disclosed |
| US-20110166177-A1 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-07-07 | — | — | US | disclosed |
| US-20100069432-A1 | Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2010-03-18 | — | — | US | 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 (6 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-20110166177-A1 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | RELA, FHIT, OPRL1 | GGPS1 3442/4885SIGMAR1 126/4885CYP4A11 4271/4885 |
| US-10071982-B2 | Method of treating neuropathic pain | INA, GAP43, ACHE | GGPS1 1977/4885SIGMAR1 264/4885CYP4A11 4241/4885 |
| US-20160340335-A9 | METHOD OF TREATING NEUROPATHIC PAIN | INA, GAP43, ACHE | GGPS1 1977/4885SIGMAR1 264/4885CYP4A11 4241/4885 |
| US-20160279119-A9 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | RELA, FHIT, OPRL1 | GGPS1 3442/4885SIGMAR1 126/4885CYP4A11 4271/4885 |
| US-20100069432-A1 | Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors | CHRNA2, CHRNA5, CHRNA4 | GGPS1 4017/4885SIGMAR1 95/4885CYP4A11 2417/4885 |
| US-20140011836-A1 | METHOD OF TREATING NEUROPATHIC PAIN | INA, GAP43, ACHE | GGPS1 1977/4885SIGMAR1 264/4885CYP4A11 4241/4885 |
“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.