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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 9/20 | 0.37 |
| ▸ | CHRM1 known ✓ | P11229 | 7/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 3/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7663016 | 0.88 | CHRM3 (0.34) | CHRM3PABPC1MEN1ALDH1A1KMT2A | |
| Iodide SCHEMBL7655990 | 0.79 | CHRM3 (0.32) | CHRM3 | |
| SCHEMBL7653274 | 0.73 | CHRM3 (0.40) | CHRM3CHRM2CHRM1HTR3AALDH1A1 | |
| SCHEMBL2232704 | 0.72 | ALDH1A1 (0.37) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| Bromide SCHEMBL7653943 | 0.72 | CHRM3 (0.36) | CHRM3 | |
| SCHEMBL19150278 | 0.71 | ALDH1A1 (0.40) | SMN1; SMN2MEN1ALDH1A1CYP1A2THRB | |
| SCHEMBL19148259 | 0.71 | ALDH1A1 (0.40) | SMN1; SMN2MEN1ALDH1A1CYP1A2THRB | |
| Bromide SCHEMBL7662643 | 0.70 | CHRM3 (0.40) | CHRM3MEN1ALDH1A1KMT2A | |
| SCHEMBL9066648 | 0.65 | TSHR (0.36) | MEN1ALDH1A1KMT2A | |
| SCHEMBL7660630 | 0.65 | CHRM3 (0.39) | CHRM3CHRM2CHRM1HTR3AALDH1A1 |
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-6376510-B1 | ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS | NEWLAXANT LLC | 2002-04-23 | — | — | US | disclosed |