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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.50 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.50 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 6/20 | 0.58 |
| ▸ | THRA | P10827 | 4/20 | 0.58 |
| ▸ | NAAA | Q02083 | 1/20 | 0.51 |
| ▸ | DGKA | P23743 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | HRH2 | P25021 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4979398 | 0.92 | NAAA (0.56) | THRBTHRANAAADGKALMNA | |
| SCHEMBL11711713 | 0.92 | NAAA (0.56) | THRBTHRANAAADGKALMNA | |
| SCHEMBL12014425 | 0.92 | ALDH1A1 (0.57) | THRBTHRANAAADGKALTA4H | |
| SCHEMBL12014422 | 0.90 | ALDH1A1 (0.59) | THRBTHRADGKALTA4HALDH1A1 | |
| SCHEMBL499698 | 0.88 | THRB (0.60) | THRBTHRANAAADGKALMNA | |
| SCHEMBL13601500 | 0.88 | THRB (0.60) | THRBTHRANAAADGKALMNA | |
| SCHEMBL673095 | 0.85 | DGKA (0.50) | THRBTHRANAAADGKAALDH1A1 | |
| SCHEMBL11598618 | 0.85 | DGKA (0.50) | THRBTHRANAAADGKAALDH1A1 | |
| SCHEMBL12120211 | 0.85 | THRB (0.62) | THRBTHRANAAADGKAALDH1A1 | |
| SCHEMBL12120214 | 0.85 | THRB (0.62) | THRBTHRANAAADGKAALDH1A1 |
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-1948596-A2 | SOFT ANTICHOLINERGIC ESTERS | Bodor, Nicholas S. (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007058971-A2 | SOFT ANTICHOLINERGIC ESTERS | BODOR NICHOLAS S (US) | 2007-05-24 | — | — | WO | disclosed |