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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.44 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL1834351 | 0.98 | TSHR (0.50) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL1639928 | 0.98 | TSHR (0.50) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL475639 | 0.98 | TSHR (0.50) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL7420165 | 0.90 | OPRD1 (0.56) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL7420161 | 0.90 | OPRD1 (0.56) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL1236268 | 0.88 | TSHR (0.55) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL5063362 | 0.83 | KMT2A (0.42) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL8268882 | 0.83 | KMT2A (0.42) | TSHRKMT2AGAANPBWR1NPSR1 | |
| SCHEMBL13110184 | 0.83 | NR4A1 (0.53) | SLC6A2SLC6A3CYP1A2PTGS1 | |
| SCHEMBL5319504 | 0.83 | NR4A1 (0.53) | SLC6A2SLC6A3CYP1A2PTGS1 |
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-6423871-B1 | REACTING AN ELECTROPHILIC COMPOUND WITH PRIMARY AMINE IN ANHYDROUS SOLVENT | UNIVERSITY OF SOUTH FLORIDA | 2002-07-23 | — | — | US | disclosed |