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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 11/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 10/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
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 SCHEMBL8076287 | 0.94 | KEAP1 (0.43) | KEAP1NFE2L2HSP90AA1ALDH1A1KMT2A | |
| Bromide SCHEMBL8076253 | 0.91 | ALDH1A1 (0.42) | KEAP1NFE2L2ALDH1A1HPGDLMNA | |
| SCHEMBL8076269 | 0.89 | ALDH1A1 (0.42) | KEAP1NFE2L2HSP90AA1ALDH1A1KMT2A | |
| Bromide SCHEMBL8471510 | 0.87 | HSP90AA1 (0.50) | KEAP1NFE2L2HSP90AA1ALDH1A1KMT2A | |
| Bromide SCHEMBL8080918 | 0.87 | KEAP1 (0.45) | KEAP1NFE2L2ALDH1A1KMT2AHDAC6 | |
| Bromide SCHEMBL7459708 | 0.86 | HSP90AA1 (0.50) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| SCHEMBL8074300 | 0.85 | ALDH1A1 (0.40) | KEAP1NFE2L2HSP90AA1ALDH1A1KMT2A | |
| SCHEMBL8076560 | 0.85 | MMP3 (0.42) | KEAP1NFE2L2HSP90AA1ALDH1A1KMT2A | |
| Bromide SCHEMBL9407961 | 0.83 | PTGES (0.40) | KEAP1NFE2L2ALDH1A1HDAC6PTGES | |
| SCHEMBL7471994 | 0.82 | KEAP1 (0.47) | KEAP1NFE2L2HSP90AA1ALDH1A1KMT2A |
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 |