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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21803243 | 0.98 | GSK3B (0.44) | GSK3BPPARGEHMT2BRD4LMNA | |
| Iodide SCHEMBL28993212 | 0.97 | GSK3B (0.43) | GSK3BPPARGEHMT2BRD4LMNA | |
| SCHEMBL27885890 | 0.92 | GSK3B (0.41) | GSK3BPPARGEHMT2BRD4LMNA | |
| SCHEMBL29107250 | 0.87 | PPARG (0.41) | PPARGTP53SMO | |
| SCHEMBL29107251 | 0.86 | PPARG (0.40) | GSK3BPPARGEHMT2BRD4LMNA | |
| SCHEMBL29107246 | 0.86 | SMN1; SMN2 (0.48) | PPARGMAPK1TP53SMN1; SMN2 | |
| SCHEMBL29107254 | 0.83 | DRD2 (0.41) | GSK3BPPARGLMNATP53SMN1; SMN2 | |
| SCHEMBL29107247 | 0.82 | CHRM5 (0.43) | GSK3BPPARGACHETP53 | |
| SCHEMBL16709169 | 0.80 | MAOA (0.38) | GSK3BPPARGSMN1; SMN2KDM1A | |
| SCHEMBL16709179 | 0.80 | MAOA (0.42) | GSK3BLMNATP53SMN1; SMN2KDM1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110194766-B | Double-channel two-photon fluorescence polarity probe and preparation method and application thereof | 安徽大学 | 2021-05-04 | — | — | CN | claimed |
| CN-110194766-A | A kind of binary channels two-photon fluorescence polarity probes and its preparation method and application | 安徽大学 | 2019-09-03 | — | — | CN | claimed |
| CN-110194766-B | Double-channel two-photon fluorescence polarity probe and preparation method and application thereof | 安徽大学 | 2021-05-04 | — | — | CN | disclosed |
| CN-110194766-A | A kind of binary channels two-photon fluorescence polarity probes and its preparation method and application | 安徽大学 | 2019-09-03 | — | — | CN | disclosed |