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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 6/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 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 SCHEMBL8471291 | 0.90 | KEAP1 (0.46) | KEAP1NFE2L2PTGESALOX5TP53 | |
| Bromide SCHEMBL8471510 | 0.89 | HSP90AA1 (0.50) | KEAP1NFE2L2ALDH1A1PTGESALOX5 | |
| SCHEMBL8469659 | 0.87 | LMNA (0.51) | KEAP1NFE2L2ALDH1A1TP53MAPT | |
| SCHEMBL8136893 | 0.86 | TP53 (0.49) | KEAP1NFE2L2ALDH1A1TP53MAPT | |
| Bromide SCHEMBL8076253 | 0.85 | ALDH1A1 (0.42) | KEAP1NFE2L2ALDH1A1PTGESALOX5 | |
| Bromide SCHEMBL8469205 | 0.84 | TP53 (0.52) | KEAP1NFE2L2PTGESALOX5TP53 | |
| SCHEMBL8469910 | 0.83 | LMNA (0.38) | KEAP1NFE2L2ALDH1A1TP53MAPT | |
| Bromide SCHEMBL8469213 | 0.83 | HSP90AA1 (0.48) | KEAP1NFE2L2ALDH1A1TP53MAPT | |
| Bromide SCHEMBL8469737 | 0.82 | ALDH1A1 (0.50) | KEAP1NFE2L2ALDH1A1PTGESALOX5 | |
| SCHEMBL8144928 | 0.81 | TP53 (0.64) | ALDH1A1TP53MAPTLMNA |
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 |