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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 8/20 | 0.43 |
| ▸ | ADRA2B known ✓ | P18089 | 6/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 6/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 5/20 | 0.43 |
| ▸ | ADRA1D known ✓ | P25100 | 5/20 | 0.43 |
| ▸ | ADRA1B known ✓ | P35368 | 4/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.35 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 SCHEMBL180407 | 0.88 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL180196 | 0.86 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| Bromide SCHEMBL28009101 | 0.83 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL180342 | 0.78 | KDM4E (0.56) | ADRA2AMAPTALDH1A1HTTKDM4E | |
| Methane SCHEMBL22289682 | 0.76 | MAPT (0.54) | ADRA2AMAPTALDH1A1HTTKDM4E | |
| SCHEMBL12814059 | 0.67 | MAPT (0.52) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL29553211 | 0.67 | MAPT (0.52) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL28520045 | 0.67 | ADRA2A (0.52) | ADRA2AADRA2BADRA2CADRA1AADRA1D | |
| SCHEMBL16420046 | 0.66 | MAPT (0.47) | ADRA2AMAPTALDH1A1HTTKDM4E | |
| SCHEMBL25002420 | 0.64 | MAPT (0.42) | ADRA2AADRA2BADRA2CADRA1AADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992013855-A1 | (2-IMIDAZOLIN-2-YLAMINO) TETRAHYDROQUINOLAXINES AND METHODS FOR USING SAME | ALLERGAN, INC. (US) | 1992-08-20 | — | — | WO | disclosed |