Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL4174831 | 0.93 | CYP19A1 (0.57) | CYP19A1 | |
| SCHEMBL4166585 | 0.93 | CYP19A1 (0.57) | CYP19A1 | |
| SCHEMBL30007452 | 0.79 | CYP19A1 (1.00) | CYP19A1 | |
| SCHEMBL151053 | 0.79 | CYP19A1 (1.00) | CYP19A1 | |
| SCHEMBL4755391 | 0.79 | CCNA2 (0.42) | CYP19A1 | |
| Bromide SCHEMBL28888744 | 0.77 | CYP19A1 (0.95) | CYP19A1 | |
| SCHEMBL9398256 | 0.77 | CYP19A1 (0.95) | CYP19A1 | |
| Ammonia Solution, Strong SCHEMBL29210102 | 0.77 | CYP19A1 (0.95) | CYP19A1 | |
| SCHEMBL13957035 | 0.73 | CYP19A1 (0.86) | CYP19A1 | |
| Bromide SCHEMBL2215944 | 0.71 | GRIN1 (0.58) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1634881-B1 | HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF | XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) | 2011-07-27 | — | — | EP | disclosed |