Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1671800 | 0.83 | TSHR (0.44) | L3MBTL1KMT2APOLBGAAMGAM | |
| SCHEMBL3910325 | 0.82 | MGAM (0.44) | L3MBTL1KMT2ACYP1A2GAAMGAM | |
| SCHEMBL23643837 | 0.81 | L3MBTL1 (0.45) | L3MBTL1KMT2APOLBCYP1A2GAA | |
| SCHEMBL29017637 | 0.80 | L3MBTL1 (0.44) | L3MBTL1KMT2APOLBCYP1A2GAA | |
| Bromide SCHEMBL17746921 | 0.79 | CHRNB2 (0.48) | L3MBTL1KMT2APOLBCYP1A2GAA | |
| SCHEMBL21214616 | 0.75 | ALOX5 (0.47) | L3MBTL1POLBGAAALDH1A1CYP4F2 | |
| SCHEMBL7291814 | 0.74 | L3MBTL1 (0.52) | L3MBTL1KMT2APOLBCYP1A2GAA | |
| SCHEMBL22468330 | 0.74 | GABRP (0.43) | CYP1A2 | |
| SCHEMBL21646775 | 0.72 | L3MBTL1 (0.50) | L3MBTL1KMT2APOLBCYP1A2GAA | |
| SCHEMBL6344872 | 0.72 | L3MBTL1 (0.50) | L3MBTL1KMT2APOLBCYP1A2GAA |
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 1 patent. 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 |