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 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 4/20 | 0.53 |
| ▸ | HRH1 | P35367 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.45 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3687851 | 0.85 | KMT2A (0.48) | HTR2AHRH1SLC6A4SLC6A2KMT2A | |
| SCHEMBL9756347 | 0.84 | KMT2A (0.43) | HTR2AHRH1SLC6A4KMT2AMEN1 | |
| SCHEMBL5667487 | 0.82 | OPRK1 (0.45) | HTR2AHRH1SLC6A4KMT2AMEN1 | |
| SCHEMBL615095 | 0.82 | MAPT (0.46) | HTR2AHRH1SLC6A4KMT2AMEN1 | |
| SCHEMBL9230552 | 0.81 | KMT2A (0.41) | HTR2AHRH1SLC6A4KMT2AMEN1 | |
| SCHEMBL3105500 | 0.79 | SLC6A4 (0.63) | HTR2AHRH1SLC6A4SLC6A2KMT2A | |
| SCHEMBL3105509 | 0.79 | SLC6A4 (0.63) | HTR2AHRH1SLC6A4SLC6A2KMT2A | |
| SCHEMBL6717748 | 0.78 | HRH1 (0.41) | HTR2AHRH1SLC6A4KMT2AMEN1 | |
| SCHEMBL9228916 | 0.77 | HRH1 (0.48) | HTR2AHRH1SLC6A4KMT2AMEN1 | |
| SCHEMBL2522817 | 0.77 | CHRM2 (0.68) | HTR2AHRH1SLC6A4KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461306-A1 | QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2004-09-29 | — | — | EP | claimed |
| WO-2003035599-A1 | QUARTERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-05-01 | — | — | WO | claimed |