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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.40 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RGS12 | O14924 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
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 SCHEMBL8983464 | 1.00 | KCNH2 (0.55) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| Bromide SCHEMBL28922695 | 1.00 | KCNH2 (0.55) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| Bromide SCHEMBL8431151 | 1.00 | KCNH2 (0.55) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL5283071 | 0.98 | KCNH2 (0.56) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL5296480 | 0.98 | KCNH2 (0.56) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL1168958 | 0.98 | KCNH2 (0.56) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL5298152 | 0.98 | KCNH2 (0.56) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL5298170 | 0.98 | KCNH2 (0.56) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| Hydrochloric Acid SCHEMBL4244081 | 0.96 | KCNH2 (0.55) | KCNH2SMN1; SMN2NPC1RAB9ALMNA | |
| Hydrochloric Acid SCHEMBL17958819 | 0.96 | KCNH2 (0.55) | KCNH2SMN1; SMN2NPC1RAB9ALMNA |
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-4148738-A | ALKYL OR AROMATIC SULFIDE OR POLYSULFIDE, QUATERNARY AMMONIUM HALIDE | CHEVRON RESEARCH COMPANY (US) | 1979-04-10 | — | — | US | disclosed |