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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | PER2 | O15055 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9079445 | 1.00 | HSD11B1 (0.40) | HSD11B1KMT2APER2ALDH1A1KDM4E | |
| Bromide SCHEMBL5198501 | 0.91 | HSD11B1 (0.42) | HSD11B1KMT2APER2ALDH1A1MCOLN3 | |
| Bromide SCHEMBL5198499 | 0.91 | HSD11B1 (0.42) | HSD11B1KMT2APER2ALDH1A1MCOLN3 | |
| Bromide SCHEMBL9079585 | 0.79 | KMT2A (0.41) | KMT2AALDH1A1KDM4EGAAMAPT | |
| Bromide SCHEMBL9079584 | 0.79 | KMT2A (0.41) | KMT2AALDH1A1KDM4EGAAMAPT | |
| Bromide SCHEMBL7619347 | 0.75 | MAPT (0.38) | HSD11B1KMT2AALDH1A1KDM4EGAA | |
| Bromide SCHEMBL7619351 | 0.75 | MAPT (0.38) | HSD11B1KMT2AALDH1A1KDM4EGAA | |
| Bromide SCHEMBL7619343 | 0.75 | MAPT (0.38) | HSD11B1KMT2AALDH1A1KDM4EGAA | |
| Bromide SCHEMBL9078723 | 0.73 | PER2 (0.34) | PER2 | |
| Bromide SCHEMBL9078726 | 0.73 | PER2 (0.34) | PER2 |
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-5523400-A | 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0620225-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-10-19 | — | — | EP | disclosed |