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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 SCHEMBL7211403 | 0.94 | ACHE (0.38) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL123954 | 0.94 | ACHE (0.41) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL29830966 | 0.92 | ACHE (0.39) | ACHENFE2L2CES2CES1TAAR1 | |
| Silver SCHEMBL1450856 | 0.92 | ACHE (0.39) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL1450796 | 0.92 | ACHE (0.39) | ACHENFE2L2CES2CES1TAAR1 | |
| Lithium Ion SCHEMBL29567735 | 0.92 | ACHE (0.39) | ACHENFE2L2CES2CES1TAAR1 | |
| Lithium Ion SCHEMBL912832 | 0.92 | ACHE (0.39) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL1452107 | 0.92 | ACHE (0.39) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL20841980 | 0.79 | ACHE (0.35) | ACHENFE2L2CES2CES1TAAR1 | |
| SCHEMBL6910972 | 0.79 | ACHE (0.31) | ACHENFE2L2 |
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-0913400-B1 | METHOD FOR PURIFYING TETRAKIS(FLUOROARYL) BORATE/MAGNESIUM HALIDE, TETRAKIS(FLUOROARYL) BORATE/ETHER COMPLEX AND PROCESS FOR PREPARING THE SAME, AND PROCESS FOR PREPARING TETRAKIS(FLUOROARYL) BORATE DERIVATIVE | NIPPON CATALYTIC CHEM IND (JP) | 2003-11-12 | — | — | EP | disclosed |