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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9851614 | 0.81 | CYP2D6 (0.36) | CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2 | |
| Bromide SCHEMBL9851562 | 0.81 | TSHR (0.35) | TSHR | |
| SCHEMBL9851591 | 0.79 | TSHR (0.36) | TSHR | |
| Bromide SCHEMBL9851723 | 0.78 | — | — | |
| SCHEMBL9851593 | 0.76 | S1PR4 (0.30) | — | |
| SCHEMBL5567057 | 0.72 | CYP2D6 (0.39) | CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL25588793 | 0.71 | PIK3CD (0.32) | CYP2D6SMN1; SMN2 | |
| SCHEMBL2608963 | 0.70 | CYP2D6 (0.43) | CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL23866552 | 0.69 | CYP2D6 (0.43) | CYP2D6SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL16852136 | 0.67 | CYP2D6 (0.41) | CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2 |
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-0417631-A2 | Condensed diazepinones, process for their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1991-03-20 | — | — | EP | disclosed |