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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.63 |
| ▸ | DNM1 | Q05193 | 14/20 | 0.84 |
| ▸ | HTT | P42858 | 2/20 | 0.79 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.71 |
| ▸ | RAD52 | P43351 | 2/20 | 0.71 |
| ▸ | APAF1 | O14727 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | APEX1 | P27695 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4099607 | 1.00 | DNM1 (0.84) | DNM1HTTHSP90AA1RAD52APAF1 | |
| Bromide SCHEMBL1355753 | 1.00 | DNM1 (0.84) | DNM1HTTHSP90AA1RAD52APAF1 | |
| Cetrimonium SCHEMBL29206321 | 0.97 | DNM1 (0.80) | DNM1HTTHSP90AA1RAD52APAF1 | |
| Cetrimonium SCHEMBL22436443 | 0.97 | DNM1 (0.80) | DNM1HTTHSP90AA1RAD52APAF1 | |
| Bromide SCHEMBL28210498 | 0.97 | DNM1 (0.80) | DNM1HTTHSP90AA1RAD52APAF1 | |
| SCHEMBL16171664 | 0.97 | DNM1 (0.83) | DNM1HTTHSP90AA1RAD52APAF1 | |
| SCHEMBL22782138 | 0.97 | DNM1 (0.83) | DNM1HTTHSP90AA1RAD52APAF1 | |
| SCHEMBL22782137 | 0.97 | DNM1 (0.83) | DNM1HTTHSP90AA1RAD52APAF1 | |
| SCHEMBL16076283 | 0.97 | DNM1 (0.83) | DNM1HTTHSP90AA1RAD52APAF1 | |
| SCHEMBL17702586 | 0.97 | DNM1 (0.83) | DNM1HTTHSP90AA1RAD52APAF1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1540105-A1 | ANTIFUNGAL GYPSUM BOARD | Temple-Inland Forest Products Corporation (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004038120-A1 | ANTIFUNGAL GYPSUM BOARD | TEMPLE-INLAND FOREST PRODUCTS CORPORATION (US) | 2004-05-06 | — | — | WO | disclosed |