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 | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
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 SCHEMBL459711 | 1.00 | PTPN1 (0.47) | PTPN1TLR8TP53SMN1; SMN2MAPT | |
| SCHEMBL10028744 | 0.99 | PTPN1 (0.48) | PTPN1TLR8TP53SMN1; SMN2MAPT | |
| SCHEMBL459038 | 0.99 | PTPN1 (0.48) | PTPN1TLR8TP53SMN1; SMN2MAPT | |
| SCHEMBL25387252 | 0.90 | PTPN1 (0.54) | PTPN1TLR8SMN1; SMN2TDP1HTT | |
| Water SCHEMBL25434773 | 0.88 | PTPN1 (0.52) | PTPN1TLR8SMN1; SMN2TDP1HTT | |
| Iodide SCHEMBL25434164 | 0.88 | PTPN1 (0.56) | PTPN1TLR8SMN1; SMN2TDP1KDM4E | |
| SCHEMBL10028735 | 0.81 | TLR8 (0.44) | PTPN1TLR8TP53SMN1; SMN2MAPT | |
| SCHEMBL10028679 | 0.81 | TLR8 (0.44) | PTPN1TLR8TP53SMN1; SMN2MAPT | |
| SCHEMBL25384736 | 0.80 | PTPN1 (0.42) | PTPN1TP53SMN1; SMN2MAPTTDP1 | |
| SCHEMBL22189012 | 0.78 | NPSR1 (0.43) | PTPN1TLR8MAPTHTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012011793-A1 | SURFACTANTS FOR THE MODIFICATION OF CLAY, METHOD OF SYNTHESIS AND THE NANOCOMPOSITES PRODUCED | MOROCCAN FOUNDATION FOR ADVANCED SCIENCE, INNOVATION & RESEARCH (MASCIR) (MA) | 2012-01-26 | — | — | WO | disclosed |