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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | CDC25A | P30304 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | GALR3 | O60755 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25387249 | 0.90 | TDP1 (0.40) | ALDH1A1CYP1A2CYP2D6CES1CDC25A | |
| SCHEMBL25384733 | 0.82 | GAA (0.39) | ALDH1A1KDM4ELMNAPOLBMEN1 | |
| SCHEMBL16343179 | 0.81 | GAA (0.40) | ALDH1A1CES1CDC25AKDM4EALDH2 | |
| SCHEMBL28537893 | 0.81 | CES1 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19CES1 | |
| Iodide SCHEMBL5143884 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CES1CDC25AKDM4ELMNA | |
| SCHEMBL459465 | 0.79 | PRKCD (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19CES1 | |
| SCHEMBL9722551 | 0.76 | HTR1A (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19CES1 | |
| SCHEMBL9042550 | 0.75 | CES1 (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C19CES1 | |
| SCHEMBL19981547 | 0.75 | KDM4E (0.39) | ALDH1A1CYP1A2CYP2D6CYP2C19CES1 | |
| SCHEMBL6233173 | 0.75 | GSK3B (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19CES1 |
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-2012011793-A1 | SURFACTANTS FOR THE MODIFICATION OF CLAY, METHOD OF SYNTHESIS AND THE NANOCOMPOSITES PRODUCED | MOROCCAN FOUNDATION FOR ADVANCED SCIENCE, INNOVATION & RESEARCH (MASCIR) (MA) | 2012-01-26 | — | — | WO | disclosed |