Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21694123 | 0.71 | NPC1 (0.47) | ALDH1A1MAPTSMN1; SMN2NPC1POLB | |
| Bromide SCHEMBL11433371 | 0.71 | POLB (0.68) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL11989450 | 0.70 | SMN1; SMN2 (0.32) | SMN1; SMN2NPC1POLBRAB9ACA2 | |
| SCHEMBL9453226 | 0.69 | MAPT (0.35) | ALDH1A1MAPTSMN1; SMN2NPC1POLB | |
| Bromide SCHEMBL8941218 | 0.68 | MAPT (0.36) | ALDH1A1MAPTGAA | |
| SCHEMBL1827048 | 0.68 | POLB (0.64) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL29724058 | 0.68 | POLB (0.64) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL28681911 | 0.67 | HPGD (0.45) | ALDH1A1MAPTSMN1; SMN2NPC1POLB | |
| Hydrochloric Acid SCHEMBL7599736 | 0.67 | POLB (0.62) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| Bromide SCHEMBL3288555 | 0.66 | CYP2D6 (0.67) | ALDH1A1MAPTSMN1; SMN2NPC1POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112047876-B | Red two-photon fluorescent AIE compound and synthesis and application thereof | 浙江工业大学 | 2021-07-27 | — | — | CN | claimed |
| CN-112047876-A | Red two-photon fluorescent AIE compound and synthesis and application thereof | 浙江工业大学 | 2020-12-08 | — | — | CN | claimed |
| CN-112047876-B | Red two-photon fluorescent AIE compound and synthesis and application thereof | 浙江工业大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-112047876-B | Red two-photon fluorescent AIE compound and synthesis and application thereof | 浙江工业大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-112047876-A | Red two-photon fluorescent AIE compound and synthesis and application thereof | 浙江工业大学 | 2020-12-08 | — | — | CN | disclosed |
| CN-112047876-A | Red two-photon fluorescent AIE compound and synthesis and application thereof | 浙江工业大学 | 2020-12-08 | — | — | CN | disclosed |