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.
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 | |
|---|---|---|---|---|
| SCHEMBL5909124 | 0.96 | CHRNB2 (0.30) | — | |
| SCHEMBL13861306 | 0.96 | — | — | |
| SCHEMBL26973008 | 0.96 | — | — | |
| SCHEMBL31483450 | 0.82 | — | — | |
| SCHEMBL14671382 | 0.80 | — | — | |
| SCHEMBL13866433 | 0.80 | — | — | |
| SCHEMBL22536323 | 0.79 | — | — | |
| SCHEMBL22276138 | 0.79 | — | — | |
| SCHEMBL13601390 | 0.77 | — | — | |
| SCHEMBL12354649 | 0.77 | — | — |
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-6765104-B1 | Transition metal complexes of n, n',n″trialkyl-cis-1,3,5-triaminocyclohexane and related compositions and methods of synthesis and use | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2004-07-20 | — | — | US | disclosed |
| US-6589966-B1 | A family of hexadentate Fe(II) chelators having marked antiproliferative activity against tumor cells is disclosed. The cytotoxic metal chelators and complexes of the present invention are represented by the general formula below: | WAKE FOREST UNIVERSITY HEALTH SCIENCES | 2003-07-08 | — | — | US | disclosed |
| WO-2001010870-A1 | TRANSITION METAL COMPLEXES OF N,N',N'-TRIALKYL- CIS,CIS-1,3,5-TRIAMINOCYCLOHEXANE AND RELATED COMPOSITIONS AND METHODS OF SYNTHESIS AND USE | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2001-02-15 | — | — | WO | disclosed |