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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.30 |
| ▸ | PER2 | O15055 | 7/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.30 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.30 |
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 SCHEMBL1132422 | 1.00 | PER2 (0.35) | PER2KDM1ADDR1LIPGCHRM2 | |
| Bromide SCHEMBL9078726 | 0.92 | PER2 (0.34) | PER2KDM1ADDR1CHRM2CHRM4 | |
| Bromide SCHEMBL9078723 | 0.92 | PER2 (0.34) | PER2KDM1ADDR1CHRM2CHRM4 | |
| Bromide SCHEMBL8508757 | 0.86 | PER2 (0.38) | PER2CHRM2CHRM4CHRM5CHRM1 | |
| Bromide SCHEMBL5196792 | 0.80 | OPRK1 (0.37) | CALCRLKCNH2OPRM1 | |
| Bromide SCHEMBL8563399 | 0.80 | HDAC1 (0.43) | HDAC1HDAC8 | |
| Bromide SCHEMBL8563395 | 0.80 | HDAC1 (0.43) | HDAC1HDAC8 | |
| Bromide SCHEMBL7618241 | 0.80 | OPRK1 (0.37) | CALCRLKCNH2OPRM1 | |
| Bromide SCHEMBL8900165 | 0.80 | BCHE (0.43) | KCNH2 | |
| Bromide SCHEMBL8563893 | 0.80 | BCHE (0.43) | KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1067131-B1 | New process for the manufacture of cephalosporin derivatives | BASILEA PHARMACEUTICA AG (CH) | 2007-08-15 | — | — | EP | disclosed |
| US-6384214-B1 | ALKALINE CONVERSION OF PYRROLIDINYL PHOSHONIUM SALT TO YLIDE FOLLOWED BY COUPLING WITH A 5-THIA-1-AZABICYCLOOCTANE 2-ALDEHYDE; ISOMERIZATION INHIBITION | BASILEA PHARMACEUTICA AG (CH) | 2002-05-07 | — | — | US | disclosed |
| EP-1067131-A1 | New process for the manufacture of cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-10 | — | — | EP | disclosed |