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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 10/20 | 0.42 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
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 SCHEMBL663157 | 0.91 | CHRM3 (0.40) | CHRM3ADRB2CHRM2CHEK1HPGD | |
| Iodide SCHEMBL661743 | 0.90 | CHRM3 (0.44) | CHRM3ADRB2CHRM2CHEK1HPGD | |
| SCHEMBL99533 | 0.90 | CHRM3 (0.39) | CHRM3ADRB2CHRM2CHEK1HPGD | |
| Iodide SCHEMBL662212 | 0.89 | CHRM3 (0.40) | CHRM3ADRB2CHRM2CHEK1HPGD | |
| Iodide SCHEMBL101217 | 0.88 | CHRM3 (0.44) | CHRM3ADRB2CHRM2CHEK1HPGD | |
| SCHEMBL100308 | 0.88 | CHRM3 (0.47) | CHRM3ADRB2CHRM2CHEK1CHRM1 | |
| Iodide SCHEMBL663347 | 0.87 | CHRM3 (0.41) | CHRM3ADRB2CHRM2CHEK1HPGD | |
| SCHEMBL660876 | 0.86 | CHRM3 (0.50) | CHRM3ADRB2CHRM2 | |
| SCHEMBL102608 | 0.86 | CHRM3 (0.49) | CHRM3ADRB2CHRM2CHEK1HPGD | |
| SCHEMBL102607 | 0.86 | CHRM3 (0.49) | CHRM3ADRB2CHRM2CHEK1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | claimed |