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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.32 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MTR | Q99707 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
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 SCHEMBL5198499 | 1.00 | HSD11B1 (0.42) | HSD11B1KMT2AMEN1HTR2BPER2 | |
| Bromide SCHEMBL9079449 | 0.91 | HSD11B1 (0.40) | HSD11B1KMT2AMEN1HTR2BPER2 | |
| Bromide SCHEMBL9079445 | 0.91 | HSD11B1 (0.40) | HSD11B1KMT2AMEN1HTR2BPER2 | |
| Bromide SCHEMBL7619343 | 0.83 | MAPT (0.38) | HSD11B1KMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL7619351 | 0.83 | MAPT (0.38) | HSD11B1KMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL7619347 | 0.83 | MAPT (0.38) | HSD11B1KMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL3934084 | 0.80 | CHRM3 (0.51) | CHRM3CHRM2OPRM1DRD2 | |
| Bromide SCHEMBL3931967 | 0.80 | CHRM3 (0.51) | CHRM3CHRM2OPRM1DRD2 | |
| Bromide SCHEMBL7885625 | 0.80 | L3MBTL1 (0.56) | KMT2AMEN1CHRM3CHRM2ALDH1A1 | |
| Bromide SCHEMBL7885629 | 0.80 | L3MBTL1 (0.56) | KMT2AMEN1CHRM3CHRM2ALDH1A1 |
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 7 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 |
| EP-0620225-B1 | Cephalosporin derivatives | BASILEA PHARMACEUTICA AG (CH) | 2002-11-13 | — | — | 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 |
| US-6218379-B1 | Tricyclic carbacephems | HOFFMANN-LA ROCHE INC. | 2001-04-17 | — | — | US | disclosed |
| EP-1067131-A1 | New process for the manufacture of cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-10 | — | — | EP | disclosed |
| US-5523400-A | 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0620225-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-10-19 | — | — | EP | disclosed |