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 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13974631 | 0.90 | ALDH1A1 (0.53) | ALDH1A1TP53TSHRCHKAKMT2A | |
| SCHEMBL127407 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TSHRPKMCHKAKDM4E | |
| Hydrochloric Acid SCHEMBL3903181 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TP53TSHRPKMSRD5A2 | |
| Hydrochloric Acid SCHEMBL29266014 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TP53TSHRPKMSRD5A2 | |
| SCHEMBL12905317 | 0.85 | ALDH1A1 (0.56) | ALDH1A1PKMCHKASRD5A2KDM4E | |
| SCHEMBL16433561 | 0.85 | ALDH1A1 (0.56) | ALDH1A1PKMCHKASRD5A2KDM4E | |
| Bromide SCHEMBL10546699 | 0.85 | TSHR (0.53) | ALDH1A1TP53TSHRCHKASRD5A2 | |
| SCHEMBL17384261 | 0.81 | NAPRT (0.48) | ALDH1A1CHKAKDM4E | |
| SCHEMBL12324045 | 0.81 | ALDH1A1 (0.44) | ALDH1A1PKMCHKAKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL28406493 | 0.79 | ALDH1A1 (0.42) | ALDH1A1TSHRPKMPOLBKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-105585522-A | 4-carboxyl-1-[(4-carboxyphenyl) methyl] bromopyridine single crystal and application | UNIV TIANJIN | 2016-05-18 | — | — | CN | disclosed |