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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL1005659 | 1.00 | — | — | |
| Piperazine SCHEMBL1224331 | 1.00 | — | — | |
| Piperazine SCHEMBL1005658 | 1.00 | HIF1A (0.86) | HIF1AMAPTPDE4AKDRCXCR4 | |
| Bromide SCHEMBL6017046 | 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945496-B1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | XEROX CORP (US) | 2003-11-12 | — | — | EP | claimed |
| EP-0945496-A1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | Xerox Corporation (US) | 1999-09-29 | — | — | EP | claimed |
| US-5958121-A | SET OF INKS COMPRISING FIRST AQUEOUS INK CONSISTING OF ANIONIC COLORANT, SECOND AQUEOUS INK CONTAINING AMMONIUM SALT, WHEREIN FIRST COLORANT IS IMMOBILIZED ON SUBSTRATE BY INTERACTION WITH AMMONIUM SALT, REDUCING INTERCOLOR BLEED | XEROX CORPORATION (US) | 1999-09-28 | — | — | US | claimed |
| EP-2011501-A1 | Compounds with chelation affinity and selectivity for first transition series elements and their use | Chelator LLC (US) | 2009-01-07 | — | — | EP | disclosed |
| EP-1261349-B1 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE | CHELATOR LLC (US) | 2008-09-03 | — | — | EP | disclosed |
| US-20050112066-A1 | Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity | CONCAT LP, A CALIFORNIA LIMITED PARTNERSHIP (US) | 2005-05-26 | — | — | US | disclosed |
| US-6881732-B2 | Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements | CHELATOR LLC (US) | 2005-04-19 | — | — | US | disclosed |
| EP-0882055-B1 | POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS | DOW GLOBAL TECHNOLOGIES INC (US) | 2004-09-22 | — | — | EP | disclosed |
| EP-1382332-A1 | Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent | Chelator LLC (US) | 2004-01-21 | — | — | EP | disclosed |
| US-20040006055-A1 | Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements | CONCAT, LTD. A CALIFORNIA LIMITED PARTNERSHIP (US) | 2004-01-08 | — | — | US | disclosed |
| EP-0945496-B1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | XEROX CORP (US) | 2003-11-12 | — | — | EP | disclosed |
| EP-0955044-A2 | Method of inhibiting bacterial or fungal growth using a complexing agent | CONCAT LTD. (US) | 1999-11-10 | — | — | EP | disclosed |
| US-5958121-A | SET OF INKS COMPRISING FIRST AQUEOUS INK CONSISTING OF ANIONIC COLORANT, SECOND AQUEOUS INK CONTAINING AMMONIUM SALT, WHEREIN FIRST COLORANT IS IMMOBILIZED ON SUBSTRATE BY INTERACTION WITH AMMONIUM SALT, REDUCING INTERCOLOR BLEED | XEROX CORPORATION (US) | 1999-09-28 | — | — | US | disclosed |
| US-5874573-A | Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy | CONCAT, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0882055-A1 | POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS | THE DOW CHEMICAL COMPANY (US) | 1998-12-09 | — | — | EP | disclosed |
| US-5834456-A | MAGNETIC RESONANCE IMAGING AND IN VIVO SPECTROSCOPY OF FLUORINE; SENSITIVITY, TISSUE DISTRIBUTION | THE DOW CHEMICAL COMPANY (US) | 1998-11-10 | — | — | US | disclosed |
| WO-1997031005-A1 | POLYAZAMACROCYCLOFLUOROMONOALKYLPHOSPHONIC ACIDS, AND THEIR COMPLEXES, FOR USE AS CONTRAST AGENTS | THE DOW CHEMICAL COMPANY (US) | 1997-08-28 | — | — | WO | disclosed |
| US-4639365-A | Gadolinium chelates as NMR contrast agents | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1987-01-27 | — | — | US | disclosed |
| EP-0198051-A1 | GADOLINIUM CHELATES AS NMR CONTRAST AGENTS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1986-10-22 | — | — | EP | disclosed |
| WO-1986002352-A1 | GADOLINIUM CHELATES AS NMR CONTRAST AGENTS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1986-04-24 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040006055-A1 | Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements | SOD1, SLC39A11, SLC40A1 | HIF1A 182/4885MAPT 2526/4885PDE4A 4541/4885 |
| US-20050112066-A1 | Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity | SLC39A14, CHIA, CA2 | HIF1A 980/4885MAPT 3731/4885PDE4A 2757/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.