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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3946214 | 1.00 | — | — | |
| SCHEMBL4818499 | 0.94 | — | — | |
| SCHEMBL31022856 | 0.94 | — | — | |
| SCHEMBL1505746 | 0.94 | — | — | |
| SCHEMBL24632096 | 0.94 | — | — | |
| SCHEMBL23087129 | 0.94 | — | — | |
| SCHEMBL126555 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL15812361 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL14759306 | 0.89 | — | — | |
| SCHEMBL23394816 | 0.80 | THRB (0.31) | — |
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-20090118471-A1 | NOVEL COUMARIN DERIVATIVES | THE UNIVERSITY OF TOKYO (JP) | 2009-05-07 | — | — | US | disclosed |
| US-7482473-B2 | Coumarin derivative | THE UNIVERSITY OF TOKYO (JP) | 2009-01-27 | — | — | US | disclosed |
| US-20070197778-A1 | NOVEL COUMARIN DERIVATIVE | THE UNIVERSITY OF TOKYO (JP) | 2007-08-23 | — | — | US | disclosed |