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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | APAF1 | O14727 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PON1 | P27169 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL899258 | 0.98 | SMN1; SMN2 (0.53) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL16674008 | 0.88 | SMN1; SMN2 (0.53) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL2520923 | 0.87 | SMN1; SMN2 (0.59) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL12936199 | 0.87 | SMN1; SMN2 (0.58) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL2519180 | 0.86 | SMN1; SMN2 (0.62) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Hydrochloric Acid SCHEMBL16713772 | 0.85 | SMN1; SMN2 (0.56) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL12936202 | 0.85 | SMN1; SMN2 (0.56) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL17418620 | 0.82 | SMN1; SMN2 (0.40) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Bromide SCHEMBL16713787 | 0.82 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL4893845 | 0.81 | MEN1 (0.47) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9555394-B2 | Method of making ionic liquid mediated sol-gel sorbents | UNIVERSITY OF SOUTH FLORIDA (US) | 2017-01-31 | — | — | US | disclosed |
| US-20140057048-A1 | METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-02-27 | — | — | US | disclosed |
| US-8623279-B2 | Ionic liquid mediated sol-gel sorbents | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-01-07 | — | — | US | disclosed |
| US-20120128551-A1 | IONIC LIQUID MEDIATED SOL-GEL SORBENTS | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-05-24 | — | — | US | disclosed |