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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PTGES | O14684 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 5/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 SCHEMBL8076530 | 0.91 | KEAP1 (0.46) | ALDH1A1PTGESALOX5KEAP1NFE2L2 | |
| Bromide SCHEMBL9408007 | 0.90 | KEAP1 (0.41) | ALDH1A1PTGESALOX5KEAP1NFE2L2 | |
| SCHEMBL9407911 | 0.88 | LMNA (0.49) | ALDH1A1KEAP1NFE2L2TP53SMN1; SMN2 | |
| Bromide SCHEMBL8469899 | 0.85 | KEAP1 (0.45) | ALDH1A1PTGESALOX5KEAP1NFE2L2 | |
| Bromide SCHEMBL8066350 | 0.85 | PTGES (0.45) | ALDH1A1PTGESALOX5TP53MAPT | |
| SCHEMBL8079566 | 0.85 | LMNA (0.37) | ALDH1A1PTGESALOX5TP53SMN1; SMN2 | |
| Bromide SCHEMBL8076287 | 0.85 | KEAP1 (0.43) | ALDH1A1KEAP1NFE2L2TP53MAPT | |
| Bromide SCHEMBL8066341 | 0.83 | ALDH1A1 (0.46) | ALDH1A1PTGESALOX5KEAP1NFE2L2 | |
| SCHEMBL8080887 | 0.83 | LMNA (0.44) | ALDH1A1KEAP1NFE2L2TP53SMN1; SMN2 | |
| Bromide SCHEMBL9407961 | 0.82 | PTGES (0.40) | ALDH1A1PTGESALOX5KEAP1NFE2L2 |
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-0330050-B1 | Special chemiluminescent acridine derivatives and their use in luminescence immunoassays | DADE BEHRING MARBURG GMBH (DE) | 2000-08-23 | — | — | EP | disclosed |
| EP-0602524-A1 | Chemiluminescence marked sequences and their use in sequence testing | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-22 | — | — | EP | disclosed |
| EP-0330050-A2 | Special chemiluminescent acridine derivatives and their use in luminescence immunoassays | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-08-30 | — | — | EP | disclosed |