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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
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 SCHEMBL6298962 | 1.00 | ALDH1A1 (0.62) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Bromide SCHEMBL3960541 | 1.00 | ALDH1A1 (0.62) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL259480 | 0.98 | — | — | |
| Water SCHEMBL27839644 | 0.96 | ALDH1A1 (0.62) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Hydrochloric Acid SCHEMBL14685862 | 0.96 | ALDH1A1 (0.62) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Phosphoric Acid SCHEMBL459429 | 0.89 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Acetic Acid SCHEMBL3851421 | 0.89 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Nitric Acid SCHEMBL31591110 | 0.86 | ALDH1A1 (0.51) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Toluene SCHEMBL27595295 | 0.86 | ALDH1A1 (0.51) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Butyl Chloride SCHEMBL28790542 | 0.84 | ALDH1A1 (0.64) | ALDH1A1KMT2AKDM4EMEN1LMNA |
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-6972343-B1 | Quaternary bis-ammonium salt precursors and their uses as prodrugs having an antiparasitic activity | CNRS (FR) | 2005-12-06 | — | — | US | disclosed |