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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.42 |
| ▸ | CKS1B | P61024 | 5/20 | 0.41 |
| ▸ | SKP1 | P63208 | 5/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 5/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
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 SCHEMBL21591721 | 0.98 | NPC1 (0.47) | NPC1RAB9AHCAR2ALDH1A1GAA | |
| Bromide SCHEMBL23854735 | 0.86 | CKS1B (0.56) | NPC1RAB9ACKS1BSKP1SKP2 | |
| SCHEMBL28518098 | 0.85 | CKS1B (0.56) | NPC1RAB9AALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5318658 | 0.79 | NPC1 (0.68) | NPC1RAB9AHCAR2ALDH1A1GAA | |
| Bromide SCHEMBL21591734 | 0.78 | HRH4 (0.43) | ALDH1A1MAPTSMN1; SMN2HCRTR1HCRTR2 | |
| SCHEMBL31066732 | 0.76 | POLB (0.41) | ALDH1A1MAPTHTTSMN1; SMN2HRH4 | |
| SCHEMBL11076800 | 0.72 | HCRTR1 (0.65) | NPC1RAB9AHCAR2ALDH1A1GAA | |
| SCHEMBL28510100 | 0.71 | HRH4 (0.43) | ALDH1A1MAPTSMN1; SMN2HCRTR1HCRTR2 | |
| SCHEMBL21591674 | 0.70 | HCAR2 (0.48) | NPC1RAB9AHCAR2ALDH1A1GAA | |
| Bromide SCHEMBL21591600 | 0.69 | ACHE (0.47) | CKS1BSKP1SKP2 |
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-3807270-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| WO-2019238616-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |