Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. 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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.88 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.88 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.88 |
| ▸ | HTR1A | P08908 | 1/20 | 0.88 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.88 |
| ▸ | DRD1 | P21728 | 1/20 | 0.88 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.88 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.88 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.88 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.88 |
| ▸ | DRD3 | P35462 | 1/20 | 0.88 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.88 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.57 |
| ▸ | FDPS | P14324 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL29154527 | 0.98 | KCNH2 (0.85) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL2791368 | 0.98 | KCNH2 (0.92) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Hydrochloric Acid SCHEMBL28770065 | 0.96 | KCNH2 (0.88) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Water SCHEMBL27805121 | 0.96 | KCNH2 (0.88) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Bromide SCHEMBL4266727 | 0.96 | KCNH2 (0.88) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Hydrochloric Acid SCHEMBL3278609 | 0.96 | KCNH2 (0.88) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Alverine SCHEMBL83067 | 0.94 | KCNH2 (1.00) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL3430560 | 0.92 | KCNH2 (0.81) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| Alverine SCHEMBL5061747 | 0.92 | KCNH2 (0.96) | KCNH2CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL28290555 | 0.90 | KCNH2 (0.79) | KCNH2CHRM2HTR1AADRA2ACHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108997112-B | Preparation method of 4-acetoxyl-2-methyl-2-butenal | 万华化学集团股份有限公司 | 2021-07-23 | — | — | CN | disclosed |