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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | EDNRA | P25101 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL187311 | 0.87 | CYP3A4 (0.51) | CYP3A4TAS1R3TAS1R1NAAARAB9A | |
| SCHEMBL186839 | 0.85 | CYP3A4 (0.39) | CYP3A4TAS1R3TAS1R1NAAAMEN1 | |
| Bromide SCHEMBL785308 | 0.78 | CYP3A4 (0.52) | CYP3A4MEN1KMT2ATSHRRAB9A | |
| SCHEMBL786373 | 0.77 | CYP3A4 (0.53) | CYP3A4MEN1KMT2ATSHRRAB9A | |
| Bromide SCHEMBL786346 | 0.76 | CYP3A4 (0.47) | CYP3A4MEN1KMT2ATSHRRAB9A | |
| SCHEMBL786172 | 0.75 | CYP3A4 (0.48) | CYP3A4MEN1KMT2ATSHRRAB9A | |
| SCHEMBL785950 | 0.73 | CYP3A4 (0.47) | CYP3A4MEN1KMT2ATSHRRAB9A | |
| SCHEMBL786171 | 0.73 | CYP3A4 (0.48) | CYP3A4NAAAMEN1KMT2ATSHR | |
| Bromide SCHEMBL786196 | 0.73 | CYP3A4 (0.46) | CYP3A4TAS1R3TAS1R1MEN1KMT2A | |
| SCHEMBL785951 | 0.72 | CYP3A4 (0.47) | CYP3A4TAS1R3TAS1R1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2401258-A1 | IONIC LIQUID SOLVENTS | Dublin City University (IE) | 2012-01-04 | — | — | EP | claimed |
| WO-2010097412-A1 | IONIC LIQUID SOLVENTS | DUBLIN CITY UNIVERSITY (IE) | 2010-09-02 | — | — | WO | claimed |