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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | APAF1 | O14727 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.54 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 10/20 | 0.37 |
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 SCHEMBL28896037 | 1.00 | MEN1 (0.54) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL28896398 | 1.00 | MEN1 (0.54) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| SCHEMBL21834829 | 0.98 | MEN1 (0.51) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| SCHEMBL21834790 | 0.98 | MEN1 (0.51) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Hydrochloric Acid SCHEMBL7748344 | 0.97 | MEN1 (0.50) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| SCHEMBL23698422 | 0.92 | MEN1 (0.42) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| SCHEMBL21834744 | 0.86 | MEN1 (0.34) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| SCHEMBL28538034 | 0.82 | MEN1 (0.41) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| Bromide SCHEMBL5453342 | 0.78 | MEN1 (0.31) | MEN1HSP90AA1KMT2ASMN1; SMN2APAF1 | |
| SCHEMBL30948726 | 0.76 | CHRM2 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115400799-A | Fuel additive, preparation method thereof and hydrocarbon fuel nanofluid | 天津大学 | 2022-11-29 | — | — | CN | claimed |
| CN-115400799-A | Fuel additive, preparation method thereof and hydrocarbon fuel nanofluid | 天津大学 | 2022-11-29 | — | — | CN | disclosed |