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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL997166 | 0.98 | GAA (0.72) | GAASMN1; SMN2THRBLMNAHPGD | |
| SCHEMBL7839510 | 0.85 | GAA (0.76) | GAASMN1; SMN2THRBALDH1A1HDAC1 | |
| SCHEMBL19593551 | 0.84 | THRB (0.68) | GAASMN1; SMN2THRBLMNAALDH1A1 | |
| Ribose (Furanose) SCHEMBL502889 | 0.82 | GAA (0.54) | GAASMN1; SMN2THRBLMNAHPGD | |
| SCHEMBL1233991 | 0.80 | THRB (0.72) | SMN1; SMN2THRBLMNAALDH1A1HDAC1 | |
| SCHEMBL25328235 | 0.80 | THRB (0.77) | GAASMN1; SMN2THRBALDH1A1HDAC1 | |
| SCHEMBL14415899 | 0.80 | THRB (0.77) | GAASMN1; SMN2THRBLMNAALDH1A1 | |
| N-Hydroxymethylnicotinamide SCHEMBL352358 | 0.78 | THRB (1.00) | SMN1; SMN2THRBLMNAALDH1A1HDAC1 | |
| SCHEMBL28489211 | 0.78 | SMN1; SMN2 (1.00) | GAASMN1; SMN2LMNAHPGDALDH1A1 | |
| SCHEMBL83922 | 0.78 | HPGD (0.86) | GAASMN1; SMN2LMNAHPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0277270-B1 | N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions | PUETTER MEDICE CHEM PHARM (DE) | 1996-12-27 | — | — | EP | disclosed |