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 | 4/20 | 0.41 |
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.41 |
| ▸ | ADRA2A known ✓ | P08913 | 4/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.41 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.41 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.41 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.41 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15237156 | 0.79 | DRD2 (0.49) | HTR2ADRD2HTR6HTR7LMNA | |
| Bromide SCHEMBL2588570 | 0.77 | HTR2A (0.39) | HTR2ADRD2HTR6HTR7CYP2D6 | |
| SCHEMBL10368251 | 0.77 | CYP2D6 (0.76) | HTR2ADRD2HTR6HTR7PTGS1 | |
| SCHEMBL12073897 | 0.76 | DRD2 (0.53) | HTR2ADRD2HTR6HTR7CYP2D6 | |
| Bromide SCHEMBL2590637 | 0.75 | DRD2 (0.50) | HTR2ADRD2HTR6HTR7CYP2D6 | |
| SCHEMBL26729276 | 0.75 | SNCA (0.49) | HTR2ADRD2HTR6PTGS1PTGS2 | |
| SCHEMBL30792514 | 0.75 | DRD2 (0.39) | HTR2ADRD2HTR6HTR7PTGS1 | |
| SCHEMBL29279666 | 0.75 | DRD2 (0.39) | HTR2ADRD2HTR6HTR7PTGS1 | |
| Bromide SCHEMBL2586940 | 0.74 | NOX1 (0.51) | HTR2ADRD2HTR6HTR7ADRA2A | |
| SCHEMBL29947109 | 0.74 | DRD2 (0.51) | HTR2ADRD2HTR6HTR7CYP2D6 |
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-2585073-A1 | ANTIVIRAL COMPOUNDS | Prostetta Antiviral Inc. (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011137447-A1 | ANTIVIRAL COMPOUNDS | PROSTETTA ANTIVIRAL INC. (US) | 2011-11-03 | — | — | WO | disclosed |