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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15876373 | 0.98 | BBOX1 (0.59) | BBOX1TSHRDNM1HSP90AA1RAD52 | |
| Bromide SCHEMBL1671983 | 0.82 | BBOX1 (0.55) | BBOX1TSHRDNM1HSP90AA1RAD52 | |
| SCHEMBL23016767 | 0.81 | HTT (0.56) | TSHRDNM1HSP90AA1RAD52KMT2A | |
| Bromide SCHEMBL13731886 | 0.81 | BBOX1 (0.61) | BBOX1TSHRKMT2AALDH1A1LMNA | |
| SCHEMBL15625159 | 0.80 | BBOX1 (0.57) | BBOX1TSHRDNM1HSP90AA1RAD52 | |
| SCHEMBL16417788 | 0.80 | TSHR (0.54) | BBOX1TSHRHSP90AA1RAD52KMT2A | |
| Bromide SCHEMBL11653138 | 0.79 | DNM1 (0.55) | TSHRDNM1HSP90AA1RAD52HTT | |
| Carpronium SCHEMBL195274 | 0.79 | TSHR (0.64) | TSHRKMT2AALDH1A1LMNACA12 | |
| Hydrochloric Acid SCHEMBL16408770 | 0.78 | TSHR (0.52) | BBOX1TSHRHSP90AA1RAD52KMT2A | |
| SCHEMBL25530508 | 0.78 | TSHR (0.52) | BBOX1TSHRKMT2AALDH1A1LMNA |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9278907-B2 | Use of 4-[ethyl(dimethyl)ammonio]butanoate in the treatment of cardiovascular disease | JSC GRINDEKS (LV) | 2016-03-08 | — | — | US | 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-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 |
| CN-115916784-A | Novel imidazopyrazine derivatives | 豪夫迈·罗氏有限公司 | 2023-04-04 | — | — | CN | 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 |
| 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 |
| EP-2491005-B1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | GRINDEKS JSC (LV) | 2014-07-23 | — | — | EP | 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 (2 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 3/4885TSHR 4548/4885DNM1 1849/4885 |
| US-20120220656-A1 | USE OF 4-[ETHYL(DIMETHYL)AMMONIO]BUTANOATE IN THE TREATMENT OF CARDIOVASCULAR DISEASE | FABP3, ABAT, BBOX1 | BBOX1 3/4885TSHR 4548/4885DNM1 1849/4885 |
“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.