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 | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15625159 | 0.98 | BBOX1 (0.57) | BBOX1CYP1A2NR1I2PGRADORA3 | |
| Bromide SCHEMBL4618327 | 0.84 | BBOX1 (0.47) | BBOX1CYP1A2NR1I2PGRADORA3 | |
| Bromide SCHEMBL1672731 | 0.82 | BBOX1 (0.57) | BBOX1DNM1HSP90AA1RAD52ALDH1A1 | |
| Bromide SCHEMBL4620693 | 0.82 | BBOX1 (0.46) | BBOX1CYP1A2NR1I2PGRADORA3 | |
| SCHEMBL13396799 | 0.82 | CYP1A2 (0.57) | CYP1A2NR1I2PGRADORA3PTGS2 | |
| SCHEMBL16417787 | 0.81 | BBOX1 (0.59) | BBOX1CYP1A2NR1I2PGRADORA3 | |
| SCHEMBL8444876 | 0.81 | CYP1A2 (0.48) | BBOX1CYP1A2NR1I2PGRADORA3 | |
| Hydrochloric Acid SCHEMBL13731124 | 0.80 | BBOX1 (0.61) | BBOX1CYP1A2NR1I2PGRADORA3 | |
| Bromide SCHEMBL11326341 | 0.80 | DGKA (0.56) | CYP1A2DNM1HSP90AA1RAD52ALDH1A1 | |
| Bromide SCHEMBL11327541 | 0.80 | DGKA (0.56) | CYP1A2DNM1HSP90AA1RAD52ALDH1A1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10351534-B2 | Use of 3-carboxy-N-ethyl-N,N-dimethylpropan-1-aminium salts in the treatment of cardiovascular disease | JSC GRINDEKS (LV) | 2019-07-16 | — | — | US | claimed |
| US-20180079728-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | JSC GRINDEKS (LV) | 2018-03-22 | — | — | US | claimed |
| EP-2702033-B1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | GRINDEKS JSC (LV) | 2016-06-08 | — | — | EP | claimed |
| EP-2491005-B1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | GRINDEKS JSC (LV) | 2014-07-23 | — | — | EP | claimed |
| US-20140088125-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | JSC GRINDEKS (LV) | 2014-03-27 | — | — | US | claimed |
| US-20120220656-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | JSC GRINDEKS (LV) | 2012-08-30 | — | — | US | claimed |
| EP-2491005-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | Grindeks, A Joint Stock Company (LV) | 2012-08-29 | — | — | EP | claimed |
| WO-2011048201-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | GRINDEKS, A JOINT STOCK COMPANY (LV) | 2011-04-28 | — | — | WO | claimed |
| US-10351534-B2 | Use of 3-carboxy-N-ethyl-N,N-dimethylpropan-1-aminium salts in the treatment of cardiovascular disease | JSC GRINDEKS (LV) | 2019-07-16 | — | — | US | disclosed |
| US-20180079728-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | JSC GRINDEKS (LV) | 2018-03-22 | — | — | US | disclosed |
| US-9573882-B2 | Use of 4-[ethyl(dimethyl)ammonio]butanoate in the treatment of cardiovascular disease | JSC GRINDEKS (LV) | 2017-02-21 | — | — | US | disclosed |
| EP-2702033-B1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | GRINDEKS JSC (LV) | 2016-06-08 | — | — | EP | disclosed |
| US-20160137589-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | JSC GRINDEKS (LV) | 2016-05-19 | — | — | US | disclosed |
| US-9278907-B2 | Use of 4-[ethyl(dimethyl)ammonio]butanoate in the treatment of cardiovascular disease | JSC GRINDEKS (LV) | 2016-03-08 | — | — | US | disclosed |
| US-20140088125-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | JSC GRINDEKS (LV) | 2014-03-27 | — | — | US | disclosed |
| EP-2702033-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | Grindeks, A Joint Stock Company (LV) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012146736-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | GRINDEKS, A JOINT STOCK COMPANY (LV) | 2012-11-01 | — | — | WO | disclosed |
| US-20120220656-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | JSC GRINDEKS (LV) | 2012-08-30 | — | — | US | disclosed |
| EP-2491005-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | Grindeks, A Joint Stock Company (LV) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011048201-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | GRINDEKS, A JOINT STOCK COMPANY (LV) | 2011-04-28 | — | — | 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 (5 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-20160137589-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | FABP3, ABAT, BBOX1 | BBOX1 3/4885CYP1A2 543/4885NR1I2 830/4885 |
| US-20120220656-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | FABP3, ABAT, BBOX1 | BBOX1 3/4885CYP1A2 543/4885NR1I2 830/4885 |
| US-10351534-B2 | Use of 3-carboxy-N-ethyl-N,N-dimethylpropan-1-aminium salts in the treatment of cardiovascular disease | TNNI3, TNNT2, NAT1 | BBOX1 1035/4885CYP1A2 655/4885NR1I2 1261/4885 |
| US-20180079728-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | TNNI3, TNNT2, NAT1 | BBOX1 1035/4885CYP1A2 655/4885NR1I2 1261/4885 |
| US-20140088125-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM SALTS IN THE TREATMENT OF CARDIOVASCULAR DISEASE | TNNI3, TNNT2, NAT1 | BBOX1 1035/4885CYP1A2 655/4885NR1I2 1261/4885 |
“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.