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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 SCHEMBL8898039 | 1.00 | CA12 (0.47) | CA12CA1CA2CA9NOTUM | |
| Bromide SCHEMBL8900459 | 0.84 | FADS1 (0.39) | DRD2DRD3ALDH1A1ALOX5POLB | |
| Bromide SCHEMBL8565406 | 0.84 | FADS1 (0.39) | DRD2DRD3ALDH1A1ALOX5POLB | |
| Bromide SCHEMBL7880295 | 0.83 | MEN1 (0.43) | CA12CA1CA2CA9POLB | |
| Bromide SCHEMBL7880298 | 0.83 | MEN1 (0.43) | CA12CA1CA2CA9POLB | |
| Bromide SCHEMBL8897811 | 0.80 | MAPT (0.49) | MAPTDRD2DRD3KCNH2ALDH1A1 | |
| Bromide SCHEMBL8563694 | 0.80 | MAPT (0.49) | MAPTDRD2DRD3KCNH2ALDH1A1 | |
| Bromide SCHEMBL7889686 | 0.78 | MAPT (0.43) | MAPTALDH1A1KDM4EPOLBMEN1 | |
| Bromide SCHEMBL8900400 | 0.78 | MAPT (0.43) | MAPTALDH1A1KDM4EPOLBMEN1 | |
| Bromide SCHEMBL8567118 | 0.78 | SLC6A2 (0.47) | MAPTCYP17A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |