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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 13/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 12/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8076290 | 0.90 | KEAP1 (0.40) | KEAP1NFE2L2CA12CA1CA2 | |
| Bromide SCHEMBL8469666 | 0.88 | KEAP1 (0.48) | KEAP1NFE2L2ALDH1A1 | |
| Bromide SCHEMBL8076530 | 0.87 | KEAP1 (0.46) | KEAP1NFE2L2ALDH1A1KMT2AHDAC6 | |
| SCHEMBL8066342 | 0.86 | ALDH1A1 (0.38) | KEAP1NFE2L2ALDH1A1CA12CA1 | |
| Bromide SCHEMBL8076287 | 0.81 | KEAP1 (0.43) | KEAP1NFE2L2ALDH1A1KMT2AHDAC6 | |
| Bromide SCHEMBL8076253 | 0.80 | ALDH1A1 (0.42) | KEAP1NFE2L2ALDH1A1KDM4E | |
| Bromide SCHEMBL9407961 | 0.79 | PTGES (0.40) | KEAP1NFE2L2ALDH1A1CA1CA2 | |
| SCHEMBL8470816 | 0.78 | KEAP1 (0.42) | KEAP1NFE2L2CA12CA1CA2 | |
| SCHEMBL8076269 | 0.77 | ALDH1A1 (0.42) | KEAP1NFE2L2ALDH1A1KMT2AKDM4E | |
| Bromide SCHEMBL8471510 | 0.76 | HSP90AA1 (0.50) | KEAP1NFE2L2ALDH1A1KMT2APOLB |
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 |