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 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7417108 | 0.74 | BACE1 (0.51) | BACE1TRPA1DRD2LMNACHRM2 | |
| Iodide SCHEMBL7413760 | 0.73 | TRPA1 (0.37) | BACE1TRPA1DRD2LMNACHRM2 | |
| Iodide SCHEMBL7399488 | 0.72 | HRH4 (0.38) | TRPA1DRD2LMNACHRM2ADRA2A | |
| SCHEMBL9635010 | 0.70 | DRD2 (0.34) | BACE1TRPA1DRD2LMNACHRM2 | |
| SCHEMBL9635030 | 0.62 | BACE1 (0.33) | BACE1TRPA1DRD2 | |
| SCHEMBL9635023 | 0.62 | BACE1 (0.33) | BACE1TRPA1DRD2 | |
| SCHEMBL9636736 | 0.62 | CCNB2 (0.34) | BACE1TRPA1DRD2LMNACHRM2 | |
| SCHEMBL9635199 | 0.61 | DRD2 (0.32) | BACE1TRPA1DRD2LMNACHRM2 | |
| SCHEMBL9635197 | 0.61 | DRD2 (0.32) | BACE1TRPA1DRD2LMNACHRM2 | |
| SCHEMBL11755417 | 0.60 | L3MBTL1 (0.37) | DRD2CHRM2HTR1AADRA2ACHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |