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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.36 |
| ▸ | CHRNA10 | Q9GZZ6 | 3/20 | 0.36 |
| ▸ | CHRNA9 | Q9UGM1 | 3/20 | 0.36 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SLC19A2 | O60779 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
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 SCHEMBL16105103 | 0.84 | FFAR1 (0.41) | NPC1POLBRAB9ASMN1; SMN2FFAR1 | |
| Bromide SCHEMBL3316783 | 0.83 | POLB (0.54) | NPC1POLBRAB9ASMN1; SMN2CHRNA7 | |
| SCHEMBL13334175 | 0.82 | POLB (0.51) | NPC1POLBRAB9ASMN1; SMN2CHRNA7 | |
| SCHEMBL12637954 | 0.81 | NPC1 (0.57) | NPC1POLBRAB9ASMN1; SMN2CHRNA7 | |
| SCHEMBL13334246 | 0.80 | FFAR1 (0.49) | SMN1; SMN2FFAR1FFAR4CHRNA7CHRNA10 | |
| SCHEMBL15694501 | 0.80 | NPC1 (0.49) | NPC1POLBRAB9ASMN1; SMN2CHRNA7 | |
| Bromide SCHEMBL16105114 | 0.79 | HTT (0.45) | FFAR1FFAR4CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL4403557 | 0.79 | NPC1 (0.54) | NPC1POLBRAB9ASMN1; SMN2CHRNA7 | |
| SCHEMBL12638005 | 0.78 | NPC1 (0.54) | NPC1POLBRAB9ASMN1; SMN2CHRNA7 | |
| SCHEMBL4400608 | 0.77 | SMN1; SMN2 (0.59) | NPC1POLBRAB9ASMN1; SMN2CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-8846937-B2 | Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-09-30 | — | — | US | claimed |