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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7690294 | 0.78 | L3MBTL1 (0.58) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL1613946 | 0.77 | ALDH1A1 (0.74) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL14519858 | 0.74 | ALDH1A1 (0.67) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL11330938 | 0.73 | ALDH1A1 (0.64) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL11330935 | 0.73 | ALDH1A1 (0.64) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL29166987 | 0.73 | ALDH1A1 (0.68) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL30597073 | 0.73 | ALDH1A1 (0.68) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL12309435 | 0.73 | ALDH1A1 (0.68) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL1146176 | 0.72 | ALDH1A1 (0.72) | ALDH1A1KMT2AHTTMEN1KDM4E | |
| SCHEMBL11323438 | 0.72 | ALDH1A1 (0.62) | ALDH1A1KMT2AHTTMEN1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6376488-B1 | SPECIFIC ADRENORECEPTOR ANTAGONISTS FOR TREATING BENIGN PROSTATIC HYPERPLASIA, BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER, AND GYNECOLOGICAL SYNDROMES | ABBOTT LABORATORIES | 2002-04-23 | — | — | US | disclosed |