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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | F2 | P00734 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 9/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BMP1 | P13497 | 1/20 | 0.42 |
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 SCHEMBL8471510 | 0.94 | HSP90AA1 (0.50) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| SCHEMBL8471272 | 0.89 | ALDH1A1 (0.46) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| Bromide SCHEMBL8076287 | 0.88 | KEAP1 (0.43) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| SCHEMBL8470438 | 0.85 | ALDH1A1 (0.42) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| SCHEMBL13433217 | 0.84 | KMT2A (0.51) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| SCHEMBL8469225 | 0.84 | ALDH1A1 (0.48) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| Bromide SCHEMBL8469899 | 0.83 | KEAP1 (0.45) | ALDH1A1KEAP1NFE2L2MAPTTP53 | |
| SCHEMBL8144928 | 0.83 | TP53 (0.64) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| Bromide SCHEMBL8076530 | 0.81 | KEAP1 (0.46) | HSP90AA1ALDH1A1KMT2AF2HPGD | |
| SCHEMBL8470105 | 0.81 | ALDH1A1 (0.43) | HSP90AA1ALDH1A1KMT2AF2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6002007-A | Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays | DADE BEHRING MARBURG GMBH (DE) | 1999-12-14 | — | — | US | disclosed |
| US-5879953-A | Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-03-09 | — | — | US | disclosed |
| US-5783696-A | Special chemiluminescent acridine derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-07-21 | — | — | US | disclosed |