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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.86 |
| ▸ | MAPT | P10636 | 1/20 | 0.86 |
| ▸ | PDE4A | P27815 | 1/20 | 0.86 |
| ▸ | KDR | P35968 | 1/20 | 0.86 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 SCHEMBL3966683 | 1.00 | HIF1A (0.86) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Piperazine SCHEMBL1005659 | 1.00 | — | — | |
| Piperazine SCHEMBL1224331 | 1.00 | — | — | |
| Piperazine SCHEMBL1005658 | 1.00 | HIF1A (0.86) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Piperazine SCHEMBL28043140 | 0.94 | — | — | |
| Bromide SCHEMBL12004053 | 0.94 | HIF1A (0.75) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Piperazine SCHEMBL5370035 | 0.94 | HIF1A (0.75) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Piperazine SCHEMBL5370033 | 0.94 | — | — | |
| Piperazine SCHEMBL5380983 | 0.94 | — | — | |
| SCHEMBL7052601 | 0.93 | HIF1A (1.00) | HIF1AMAPTPDE4AKDRCXCR4 |
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-20060088475-A1 | Self-immolative magnetic resonance imaging contrast agents sensitive to beta-glucuronidase | NORTHWESTERN UNIVERSITY (US) | 2006-04-27 | — | — | US | disclosed |
| WO-2005115105-A2 | SELF-IMMOLATIVE MAGNETIC RESONANCE IMAGING CONTRAST AGENTS SENSITIVE TO BETA-GLUCURONIDASE | NORTHWESTERN UNIVERSITY (US) | 2005-12-08 | — | — | WO | disclosed |
| EP-0722442-A1 | POLYAZACYCLOALKANES AS DICHELANTS | NYCOMED SALUTAR, INC. (US) | 1996-07-24 | — | — | EP | disclosed |