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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | UGCG | Q16739 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 SCHEMBL8897674 | 1.00 | ATM (0.51) | ATMMEN1KMT2AALDH1A1POLB | |
| Bromide SCHEMBL8560291 | 0.81 | KMT2A (0.45) | MEN1KMT2AMGLLOPRM1SIGMAR1 | |
| Bromide SCHEMBL8898107 | 0.81 | KMT2A (0.45) | MEN1KMT2AMGLLOPRM1SIGMAR1 | |
| Bromide SCHEMBL8560741 | 0.81 | KMT2A (0.35) | ATMKMT2AALDH1A1POLBMAPK1 | |
| Bromide SCHEMBL8899176 | 0.81 | KMT2A (0.35) | ATMKMT2AALDH1A1POLBMAPK1 | |
| Bromide SCHEMBL8560903 | 0.79 | ALDH1A1 (0.40) | MEN1KMT2AALDH1A1POLBHTR1A | |
| Bromide SCHEMBL8560897 | 0.79 | ALDH1A1 (0.40) | MEN1KMT2AALDH1A1POLBHTR1A | |
| Bromide SCHEMBL7880298 | 0.79 | MEN1 (0.43) | MEN1KMT2APOLBMGLL | |
| Bromide SCHEMBL7880295 | 0.79 | MEN1 (0.43) | MEN1KMT2APOLBMGLL | |
| Bromide SCHEMBL8897811 | 0.79 | MAPT (0.49) | KMT2AALDH1A1MGLLDRD2MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0879237-A1 | ISOOXACEPHEM DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-11-25 | — | — | EP | disclosed |
| US-5811419-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-22 | — | — | US | disclosed |
| US-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| WO-1997026260-A1 | ISOOXACEPHEM DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-07-24 | — | — | WO | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |