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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 9/20 | 0.69 |
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.52 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 SCHEMBL3419252 | 1.00 | ADRB2 (0.69) | ADRB2ADRB1ADRB3AOC3KDM4E | |
| Bromide SCHEMBL3419254 | 1.00 | ADRB2 (0.69) | ADRB2ADRB1ADRB3AOC3KDM4E | |
| SCHEMBL2010668 | 0.98 | ADRB2 (0.71) | ADRB2ADRB1ADRB3AOC3KDM4E | |
| SCHEMBL2957367 | 0.98 | ADRB2 (0.71) | ADRB2ADRB1ADRB3AOC3KDM4E | |
| SCHEMBL2957366 | 0.98 | ADRB2 (0.71) | ADRB2ADRB1ADRB3AOC3KDM4E | |
| Trifluoroacetic Acid SCHEMBL4862945 | 0.88 | ADRB2 (0.59) | ADRB2ADRB1ADRB3AOC3KDM4E | |
| Trifluoroacetic Acid SCHEMBL4862950 | 0.88 | ADRB2 (0.59) | ADRB2ADRB1ADRB3AOC3KDM4E | |
| SCHEMBL13596185 | 0.83 | ADRB2 (0.71) | ADRB2ADRB1ADRB3AOC3KDM4E | |
| SCHEMBL31450080 | 0.82 | ADRB2 (0.60) | ADRB2ADRB1AOC3KDM4EL3MBTL1 | |
| SCHEMBL29033217 | 0.82 | ADRB2 (0.60) | ADRB2ADRB1AOC3KDM4EL3MBTL1 |
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-1730104-A1 | CHEMICAL PROCESS AND NEW CRYSTALLINE FORM | GLAXO GROUP LIMITED (GB) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095328-A1 | CHEMICAL PROCESS AND NEW CRYSTALLINE FORM | GLAXO GROUP LIMITED (GB) | 2005-10-13 | — | — | WO | disclosed |